Scientists and engineers at the Institute for Integrated Catalysis are conducting and publishing world-class research in catalysis. Dating back to 2004, here are our published papers:

2024 | 2023 | 2022 | 2021 | 2020 | 2019 | 2018 | 2017 | 2016 | 2015 | 2014 | 2013 | 2012 | 2011 | 2010 | 2009 | 2008 | 2007 | 2006 | 2005 | 2004

2024

2023

Adamsen KC, NG Petrik, W Dononelli, GA Kimmel, T Xu, ZS Li, L Lammich, B Hammer, JV Lauritsen, and S Wendt. 2023. "Origin of hydroxyl pair formation on reduced anatase TiO₂(101)." Phys. Chem. Chem. Phys. 25(19):13645-13653. DOI: 10.1039/d3cp01051a.

Adiga P, L Wang, C Wong, BE Matthews, ME Bowden, SR Spurgeon, GE Sterbinsky, M Blum, MJ Choi, JH Tao, TC Kaspar, SA Chambers, KA Stoerzinger, and YG Du. 2023. "Correlation between oxygen evolution reaction activity and surface compositional evolution in epitaxial La_0.5Sr_0.5Ni_1−xFe_xO_3−δthin films." Nanoscale 15(3):1119-1127. DOI: 10.1039/d2nr05373j.

Affandy M, C Zhu, M Swita, B Hofstad, D Cronin, R Elander, and VL Dagle. 2023. "Production and catalytic upgrading of 2,3-butanediol fermentation broth into sustainable aviation fuel blendstock and fuel properties measurement." Fuel 333. DOI: 10.1016/j.fuel.2022.126328.

Attarzadeh N, D Das, SN Chintalapalle, SS Tan, V Shutthanandan, and CV Ramana. 2023. "Nature-Inspired Design of Nano-Architecture-Aligned Ni₅P_4-Ni₂P/NiS Arrays for Enhanced Electrocatalytic Activity of Hydrogen Evolution Reaction (HER)." ACS Appl. Mater. Interfaces 15(18):22036-22050. DOI: 10.1021/acsami.3c00781.

Autrey T and P Chen. 2023. "Hydrogen energy carriers." Journal of Energy Chemistry 77:119-121. DOI: 10.1016/j.jechem.2022.10.039.

Bulfin B, M Carmo, R van de Krol, J Mougin, K Ayers, KJ Gross, OA Marina, GM Roberts, EB Stechel, and CX Xiang. 2023. "Advanced water splitting technologies development: Best practices and protocols." Frontiers in Energy Research 11. DOI: 10.3389/fenrg.2023.1149688.

Chang JF, GZ Wang, XX Chang, ZZ Yang, H Wang, BY Li, W Zhang, L Kovarik, YG Du, N Orlovskaya, BJ Xu, GF Wang, and Y Yang. 2023. "Interface synergism and engineering of Pd/Co@N-C for direct ethanol fuel cells." Nat. Commun. 14(1). DOI: 10.1038/s41467-023-37011-z.

Chaudhary N, I Onyango, Y Wang, and JS McEwen. 2023. "Determining Catalytically Relevant Surfaces through Coverage-Dependent Lattice Gas Models: Carbon Adsorption on Fe(100)." J. Phys. Chem. C 127(29):14163-14176. DOI: 10.1021/acs.jpcc.3c01761.

Chen F, S Kim, D Barpaga, JL Fulton, RK Motkuri, OY Gutierrez, DM Camaioni, and JA Lercher. 2023. "Activity of Bronsted Acid Sites in UiO-66 for Cyclohexanol Dehydration." Top. Catal. DOI: 10.1007/s11244-023-01830-7.

Chen LX, SI Allec, MT Nguyen, L Kovarik, AS Hoffman, JY Hong, D Meira, HH Shi, SR Bare, VA Glezakou, R Rousseau, and J Szanyi. 2023. "Dynamic Evolution of Palladium Single Atoms on Anatase Titania Support Determines the Reverse Water-Gas Shift Activity." J. Am. Chem. Soc. 145(19):10847-10860. DOI: 10.1021/jacs.3c02326.

Chen LX, JB Moreira, LC Meyer, and J Szanyi. 2023. "Efficient and selective dual-pathway polyolefin hydro-conversion over unexpectedly bifunctional M/TiO₂anatase catalysts." Appl. Catal. B 335. DOI: 10.1016/j.apcatb.2023.122897.

Chen YS, PY Liu, RM Niu, A Devaraj, HW Yen, RKW Marceau, and JM Cairney. 2023. "Atom Probe Tomography for the Observation of Hydrogen in Materials: A Review." Microscopy and Microanalysis 29(1):155-165. DOI: 10.1093/micmic/ozac030.

Chen Y, J Ryu, JD Bazak, DT Nguyen, KS Han, Z Li, JZ Hu, KT Mueller, and V Murugesan. 2023. "Ion Solvation-Driven Liquid-Liquid Phase Separation in Divalent Electrolytes with Miscible Organic Solvents." J. Phys. Chem. C 127(31):15443-15453. DOI: 10.1021/acs.jpcc.3c01701.

Choi MJ, L Wang, KA Stoerzinger, SY Chung, SA Chambers, and YG Du. 2023. "Epitaxial Design of Complex Nickelates as Electrocatalysts for the Oxygen Evolution Reaction." Advanced Energy Materials 13(22). DOI: 10.1002/aenm.202300239.

Coradetti ST, PA Adamczyk, D Liu, YQ Gao, PB Otoupal, GM Geiselman, BJM Webb-Robertson, MC Burnet, YM Kim, KE Burnum-Johnson, J Magnuson, and JM Gladden. 2023. "Engineering transcriptional regulation of pentose metabolism in Rhodosporidium toruloides for improved conversion of xylose to bioproducts." Microbial Cell Factories 22(1). DOI: 10.1186/s12934-023-02148-5.

Dagle VL, G Collinge, M Rahmana, A Winkelman, WD Hu, JZ Hu, L Kovarik, M Engelhard, J Jocz, Y Wang, MS Lee, VA Glezakou, D Ray, R Rousseau, and R Dagle. 2023. "Single-step conversion of ethanol into n-butene-rich olefins over metal catalysts supported on ZrO₂-SiO₂ mixed oxides." Appl. Catal. B 331. DOI: 10.1016/j.apcatb.2023.122707.

Denson MD, E Terell, P Kostetskyy, L Broadbelt, M Olarte, and M Garcia-Perez. 2023. "Theoretical Insights on the Fragmentation of Cellulosic Oligomers to Form Hydroxyacetone and Hydroxyacetaldehyde." Energy Fuels 37(18):13997-14005. DOI: 10.1021/acs.energyfuels.3c01924.

Denson MD, E Terrell, P Kostetskyy, M Olarte, L Broadbelt, and M Garcia-Perez. 2023. "Elucidation of Structure and Physical Properties of Pyrolytic Sugar Oligomers Derived from Cellulose Depolymerization/Dehydration Reactions: A Density Functional Theory Study." Energy Fuels 37(11):7834-7847. DOI: 10.1021/acs.energyfuels.3c00641.

Ding SC, JA Barr, Z Lyu, FY Zhang, MY Wang, P Tieu, X Li, MH Engelhard, ZX Feng, SP Beckman, XQ Pan, JC Li, D Du, and YH Lin. 2023. "Effect of Phosphorus Modulation in Iron Single-Atom Catalysts for Peroxidase Mimicking." Adv. Mater. DOI: 10.1002/adma.202209633.

Dong Z, WD Hu, HJ Liu, ZZ Yang, D Moitra, DE Jiang, S Dai, JZ Hu, D Wu, and HF Lin. 2023. "Solvent-Treated Zirconium-Based Nanoporous UiO-66 Metal-Organic Frameworks for Enhanced CO₂ Capture." ACS Applied Nano Materials 6(13):12159-12167. DOI: 10.1021/acsanm.3c01909.

Dong Z, A Mukhtar, T Ludwig, SA Akhade, SY Kang, B Wood, K Grubel, M Engelhard, T Autrey, and HF Lin. 2023. "Efficient Pd on carbon catalyst for ammonium formate dehydrogenation: Effect of surface oxygen functional groups." Appl. Catal. B 321. DOI: 10.1016/j.apcatb.2022.122015.

Eswaran SCD, MV Olarte, R Rallo, L Marrlett, J Harper, M Anderson, E Shapiro, P Kozyra, and A Starks. 2023. "HT Model: Using the Molecular Transformer for Predicting Hydrotreating Reactions." Energy Fuels 37(19):14922-14935. DOI: 10.1021/acs.energyfuels.3c02224.

Fitria, J Liu, and B Yang. 2023. "Roles of mineral matter in biomass processing to biofuels." Biofuels Bioproducts & Biorefining-Biofpr. DOI: 10.1002/bbb.2468.

Gajardo J, J Colmenares-Zerpa, AF Peixoto, DSA Silva, JA Silva, F Gispert-Guirado, J Llorca, EA Urquieta-Gonzalez, JBO Santos, J Szanyi, C Sepulveda, MG Alvarez, and RJ Chimentao. 2023. "Revealing the effects of high Al loading incorporation in the SBA-15 silica mesoporous material." Journal of Porous Materials. DOI: 10.1007/s10934-023-01453-z.

Garcia-Vargas CE, XI Pereira-Hernandez, D Jiang, R Alcala, AT DeLaRiva, A Datye, and Y Wang. 2023.  "Highly Active and Stable Single Atom Rh₁/CeO₂ Catalyst for CO Oxidation during Redox Cycling." ChemCatChem. DOI: 10.1002/cctc.202201210.

Ghosh S, S Mukamel, and N Govind. 2023. "A Combined Wave Function and Density Functional Approach for K-Edge X-ray Absorption Near-Edge Spectroscopy: A Case Study of Hydrated First-Row Transition Metal Ions." J. Phys. Chem. Lett. 14(22):5203-5209. DOI: 10.1021/acs.jpclett.3c00611.

Ginovska B, OY Gutiérrez, A Karkamkar, MS Lee, JA Lercher, Y Liu, S Raugei, R Rousseau, and WJ Shaw. 2023. "Bioinspired Catalyst Design Principles: Progress in Emulating Properties of Enzymes in Synthetic Catalysts." ACS Catal. 13(18):11883-11901. DOI: 10.1021/acscatal.3c00320.

Glezakou VA, R Rousseau, and T Lin. 2023. "Introduction: Self-Healing in Chemical Systems." Chem. Rev. 123(2):555-557. DOI: 10.1021/acs.chemrev.2c00839.

Gutierrez OY, K Grubel, J Kothandaraman, JA Lopez-Ruiz, KP Brooks, ME Bowden, and T Autrey. 2023. "Using earth abundant materials for long duration energy storage: electro-chemical and thermo-chemical cycling of bicarbonate/formate." Green Chem. 25(11). DOI: 10.1039/d3gc00219e.

Han J, L Wang, WJ Cao, QQ Yuan, XG Zhou, SL Liu, and XB Wang. 2023. "Photogeneration of singlet oxygen catalyzed by hexafluoroisopropanol for selective degradation of dyes." Iscience 26(8). DOI: 10.1016/j.isci.2023.107306.

Jiang D, G Wan, JH Stenlid, CE Garcia-Vargas, JH Zhang, CJ Sun, JR Li, F Abild-Pedersen, CJ Tassone, and Y Wang. 2023. "Dynamic and reversible transformations of subnanometre-sized palladium on ceria for efficient methane removal." Nature Catalysis. DOI: 10.1038/s41929-023-00983-8.

Jiang JY, JA Lopez-Ruiz, A Leininger, L Du, YQ Yan, HD May, and ZJ Ren. 2023. "Molecular transformation and metabolic insights of microbial electrolysis treatment and valorization of post-hydrothermal liquefaction wastewater." Green Chem. DOI: 10.1039/d3gc02252h.

Jiang Y, PM Mathias, RF Zheng, CJ Freeman, D Barpaga, D Malhotra, PK Koech, A Zwoster, and DJ Heldebrant. 2023. "Energy-effective and low-cost carbon capture from point-sources enabled by water-lean solvents." Journal of Cleaner Production 388. DOI: 10.1016/j.jclepro.2022.135696.

Jin B, Y Chen, JH Tao, KJ Lachowski, ME Bowden, ZH Zhang, LD Pozzo, NM Washton, KT Mueller, and JJ De Yoreo. 2023. "Multi-Step Nucleation of a Crystalline Silicate Framework via a Structurally Precise Prenucleation Cluster." Angew. Chem., Int. Ed. DOI: 10.1002/anie.202303770.

Jun J, YF Su, JR Keiser, JE Wade, MD Kass, JR Ferrell, E Christensen, MV Olarte, and D Sulejmanovic. 2023. "Corrosion Compatibility of Stainless Steels and Nickel in Pyrolysis Biomass-Derived Oil at Elevated Storage Temperatures." Sustainability 15(1). DOI: 10.3390/su15010022.

Khivantsev K, MA Derewinski, and J Szanyi. 2023. "Novel and emerging concepts related to cationic species in zeolites: Characterization, chemistry and catalysis." Microporous Mesoporous Mat. 358. DOI: 10.1016/j.micromeso.2022.112378.

Khivantsev K, NR Jaegers, HA Aleksandrov, IH Song, XI Pereira-Hernandez, MH Engelhard, JS Tian, LX Chen, DM Meira, L Kovarik, GN Vayssilov, Y Wang, and J Szanyi. 2023. "Single Ru(II) Ions on Ceria as a Highly Active Catalyst for Abatement of NO." J. Am. Chem. Soc. DOI: 10.1021/jacs.2c09873.

Kothandaraman J, DJ Heldebrant, JS Lopez, and RA Dagle. 2023. "Mechanistic insights to drive catalytic hydrogenation of formamide intermediates to methanol via deaminative hydrogenation." Frontiers in Energy Research 11. DOI: 10.3389/fenrg.2023.1158499.

Kulkarni SS, Y Shin, KS Choi, and K Simmons. 2023. "Investigation of desorption of hydrogen gas from polymer matrix using thermal desorption analysis and finite element modeling." Polymer 282. DOI: 10.1016/j.polymer.2023.126182.

Lahiri N, D Song, X Zhang, XP Huang, KA Stoerzinger, OQ Carvalho, PP Adiga, M Blum, and KM Rosso. 2023. "Interplay between Facets and Defects during the Dissociative and Molecular Adsorption of Water on Metal Oxide Surfaces." J. Am. Chem. Soc. 145(5):2930-2940. DOI: 10.1021/jacs.2c11291.

Lercher JA. 2023. "Novel mechanism for selective cracking of sugars on WO₃ and its for biomass utilization." Chinese Journal of Catalysis 46:1-3. DOI: 10.1016/S1872-2067(22)64206-2.

Lin F, CE Garcia-Vargas, and Y Wang. 2023. "A Bifunctional Pt/CeO₂-Cu₁/CeO₂ Catalyst System for Isooctane Oxidation under Fully Simulated Engine-Exhaust Condition: Eliminating the Inhibition by CO." Catalysts 13(3). DOI: 10.3390/catal13030508.

Lin F, WD Hu, NR Jaegers, F Gao, JZ Hu, HM Wang, and Y Wang. 2023. "Elucidation of the Roles of Water on the Reactivity of Surface Intermediates in Carboxylic Acid Ketonization on TiO₂." J. Am. Chem. Soc. DOI: 10.1021/jacs.2c08511.

Lines AM, D Barpaga, RF Zheng, JR Collett, DJ Heldebrant, and SA Bryan. 2023. "In Situ Raman Methodology for Online Analysis of CO₂ and H₂O Loadings in a Water-Lean Solvent for CO₂ Capture." Analytical Chem. 95(42):15566-15576. DOI: 10.1021/acs.analchem.3c02281.

Liu D, HJ Hwang, PB Otoupal, GM Geiselman, J Kim, KR Pomraning, YM Kim, N Munoz, CD Nicora, YQ Gao, KE Burnum-Johnson, O Jacobson, S Coradetti, J Kim, S Deng, ZY Dai, JP Prahl, D Tanjore, TS Lee, JK Magnuson, and JM Gladden. 2023. "Engineering Rhodosporidium toruloides for production of 3-hydroxypro- pionic acid from lignocellulosic hydrolysate." Metabolic Engineering 78:72-83. DOI: 10.1016/j.ymben.2023.05.001.

Liu LL, BA Legg, W Smith, LM Anovitz, X Zhang, R Harper, CI Pearce, KM Rosso, AG Stack, M Bleuel, DFR Mildner, GK Schenter, AE Clark, JJ De Yoreo, J Chun, and E Nakouzi. 2023. "Predicting Outcomes of Nanoparticle Attachment by Connecting Atomistic, Interfacial, Particle, and Aggregate Scales." ACS Nano. DOI: 10.1021/acsnano.3c02145.

Lukoyanov DA, ZY Yang, K Shisler, JW Peters, S Raugei, DR Dean, LC Seefeldt, and BM Hoffman. 2023. "A conformational equilibrium in the nitrogenase MoFe protein with an a-V70I amino acid substitution illuminates the mechanism of H₂ formation." Faraday Discuss. 243(0):231-252. DOI: 10.1039/d2fd00153e.

Ma RZ, CR O'Connor, G Collinge, SI Allec, MS Lee, and Z Dohnalek. 2023. "The Role of Surface Hydroxyls in the Mobility of Carboxylates on Surfaces: Dynamics of Acetate on Anatase TiO₂(101)." J. Phys. Chem. Lett. 14(10):2542-2550. DOI: 10.1021/acs.jpclett.3c00175.

Manrique R, E Terrell, P Kostetskyy, F Chejne, M Olarte, L Broadbelt, and M Garcia-Perez. 2023. "Elucidating Biomass-Derived Pyrolytic Lignin Structures from Demethylation Reactions through Density Functional Theory Calculations." Energy Fuels 37(7):5189-5205. DOI: 10.1021/acs.energyfuels.2c04292.

Mehendale SG, B Peng, N Govind, and Y Alexeev. 2023. "Exploring Parameter Redundancy in the Unitary Coupled-Cluster Ansätze for Hybrid Variational Quantum Computing." J. Phys. Chem. A 127(20):4526-4537. DOI: 10.1021/acs.jpca.3c00550.

McCullough KE, DS King, SP Chheda, MS Ferrandon, TA Goetjen, ZH Syed, TR Graham, NM Washton, OK Farha, L Gagliardi, and M Delferro. 2023. "High-Throughput Experimentation, Theoretical Modeling, and Human Intuition: Lessons Learned in Metal-Organic-Framework-Supported Catalyst Design." ACS Central Science. DOI: 10.1021/acscentsci.2c01422.

Mejia-Rodriguez D, E Apra, J Autschbach, NP Bauman, EJ Bylaska, N Govind, JR Hammond, K Kowalski, A Kunitsa, A Panyala, B Peng, JJ Rehr, HJ Song, S Tretiak, M Valiev, and FD Vila. 2023. "NWChem: Recent and Ongoing Developments." J. Chem. Theory Comput. DOI: 10.1021/acs.jctc.3c00421.

Mevawala C, T Autrey, K Brooks, M Bowden, BL Tran, and K Muller. 2023. "1,4-Butanediol as a Hydrogen Carrier: Liquid- versus Gas-Phase Dehydrogenation." Energy Fuels. DOI: 10.1021/acs.energyfuels.2c03355.

Mevawala C, K Brooks, ME Bowden, HM Breunig, BL Tran, OY Gutierrez, T Autrey, and K Muller. 2023. "The Ethanol-Ethyl Acetate System as a Biogenic Hydrogen Carrier." Energy Technology 11(1). DOI: 10.1002/ente.202200892.

Middleton-Smith LA, AH Zacher, S Blackwell, J Benemann, and T Lundquist. 2023. "Disposition of Solids from Hydrothermal Liquefaction of Biomass: Current Understanding, Research Gaps, and Opportunities." Energy Fuels. DOI: 10.1021/acs.energyfuels.3c01828.

Moitra D, N Mokhtari-Nori, KM Siniard, LQ Qiu, JT Fan, Z Dong, WD Hu, HJ Liu, DE Jiang, HF Lin, JZ Hu, MJ Li, ZZ Yang, and S Dai. 2023. "High-Performance CO₂ Capture from Air by Harnessing the Power of CaO- and Superbase-Ionic-Liquid-Engineered Sorbents." ChemSusChem. DOI: 10.1002/cssc.202300808.

Muchharla B, PV Sushko, KK Sadasivuni, W Cao, A Tomar, H Elsayed-Ali, A Adedeji, A Karoui, JM Spurgeon, and B Kumar. 2023. "Underlying Substrate Effect on Electrochemical Activity for Hydrogen Evolution Reaction with Low-Platinum-Loaded Catalysts." Small Structures. DOI: 10.1002/sstr.202300265.

Nelson NC, T Andana, KG Rappe, and Y Wang. 2023. "Mechanistic insight into low temperature SCR by ceria-manganese mixed oxides incorporated into zeolites." Catal. Sci. Technol. DOI: 10.1039/d2cy01921c.

O'Connor CR, MFC Andrade, A Selloni, and GA Kimmel. 2023. "Elucidating the water-anatase TiO₂(101) interface structure using infrared signatures and molecular dynamics." J. Chem. Phys. 159(10). DOI: 10.1063/5.0161895.

O'Connor CR, RZ Ma, G Collinge, MS Lee, GA Kimmel, and Z Dohnalek. 2023. "Insights into Acetic Acid Binding and Ketene Formation on Anatase TiO₂(101)." Top. Catal. DOI: 10.1007/s11244-023-01828-1.

Oasmaa A, DC Elliott, and W Prins. 2023. "Virtual Special Issue of Recent Advances in Biofuel Production via Co-refining Route." Energy Fuels 37(10):6875-6878. DOI: 10.1021/acs.energyfuels.3c01384.

Oh DG, HA Aleksandrov, H Kim, IZ Koleva, K Khivantsev, GN Vayssilov, and JH Kwak. 2023. "Understanding of Active Sites and Interconversion of Pd and PdO during CH4 Oxidation." Molecules 28(4). DOI: 10.3390/molecules28041957.

Patrick EA, ME Bowden, JD Erickson, RM Bullock, and BL Tran. 2023. "Single-Crystal to Single-Crystal Transformations: Stepwise CO₂ Insertions into Bridging Hydrides of [(NHC)CuH]₂ Complexes." Angew. Chem., Int. Ed. DOI: 10.1002/anie.202304648.

Pires APP, M Garcia-Perez, MV Olarte, W Kew, A Schmidt, K Zemaitis, M Denson, E Terrell, A McDonald, and YL Han. 2023. "Comparison of the Chemical Composition of Liquids from the Pyrolysis and Hydrothermal Liquefaction of Lignocellulosic Materials." Energy Fuels 37(10):7221-7236. DOI: 10.1021/acs.energyfuels.2c03239.

Pires APP, M Olarte, E Terrell, M Garcia-Perez, and YL Han. 2023. "Co-Hydrotreatment of Yellow Greases and the Water-Insoluble Fraction of Pyrolysis Oil. Part I: Experimental Design to Increase Kerosene Yield and Reduce Coke Formation." Energy Fuels. DOI: 10.1021/acs.energyfuels.2c03250.

Polikarpov E, JT Bays, MA Lilga, MF Guo, and DJ Gaspar. 2023. "The effect of chemical functional groups on the octane sensitivity of fuel blends for spark-ignited and multimode engines." Fuel 352. DOI: 10.1016/j.fuel.2023.129107.

Prabhakaran V, G Agarwal, JD Howard, S Wi, V Shutthanandan, DT Nguyen, L Soule, GE Johnson, YS Liu, FP Yang, XF Feng, JH Guo, K Hankins, LA Curtiss, KT Mueller, RS Assary, and V Murugesan. 2023. "Coordination-Dependent Chemical Reactivity of TFSI Anions at a Mg Metal Interface." ACS Appl. Mater. Interfaces 15(5):7518-7528. DOI: 10.1021/acsami.2c18477.

Prabhakaran V, GE Johnson, and J Laskin. 2023. "Ion soft landing: A unique tool for understanding electrochemical processes." Current Opinion in Electrochemistry 40. DOI: 10.1016/j.coelec.2023.101310.

Primera-Pedrozo OM, S Tan, DF Zhang, BT O'Callahan, WJ Cao, ET Baxter, XB Wang, PZ El-Khoury, V Prabhakaran, VA Glezakou, and GE Johnson. 2023. "Influence of surface and intermolecular interactions on the properties of supported polyoxometalates." Nanoscale. DOI: 10.1039/d2nr06148a.

Qiu LQ, L Peng, D Moitra, HJ Liu, YQ Fu, Z Dong, WD Hu, M Lei, DE Jiang, HF Lin, JZ Hu, KA McGarry, I Popovs, MJ Li, AS Ivanov, ZZ Yang, and S Dai. 2023. "Harnessing the Hybridization of a Metal-Organic Framework and Superbase-Derived Ionic Liquid for High-Performance Direct Air Capture of CO₂." Small. DOI: 10.1002/smll.202302708.

Rupprechter G, Z Dohnálek, and AF Volpe. 2023. "Preface to "From Coadsorption and Catalysis at Solid Surfaces to Liquid-Solid Interfaces in Theory and Experiment, Published in Honor of Professor Robert K. Grasselli, Irsee IX Symposium Kloster Irsee, Germany 16-19 June 2022 (Irsee IX)."” Top. Catal. 66(15-16):1071-1072. DOI: 10.1007/s11244-023-01858-9.

Song M, MP Prange, P Ren, ZX Lu, J Lee, J Zheng, M Engelhard, JJ De Yoreo, PV Sushko, and DS Li. 2023. "Transitional Structures with Continuous Variations in Atomic Positions from Anatase to Rutile Improve Photocatalytic Activity." Advanced Materials Interfaces 10(17). DOI: 10.1002/admi.202202306.

Stanley PM, AY Su, V Ramm, P Fink, C Kimna, O Lieleg, M Elsner, JA Lercher, B Rieger, J Warnan, and RA Fischer. 2023. "Photocatalytic CO₂-to-Syngas Evolution with Molecular Catalyst Metal-organic Framework Nanozymes." Adv. Mater. 35(6). DOI: 10.1002/adma.202207380.

Tao L, E Khramenkova, I Lee, T Ikuno, R Khare, A Jentys, JL Fulton, AA Kolganov, EA Pidko, M Sanchez-Sanchez, and JA Lercher. 2023. "Speciation and Reactivity Control of Cu-Oxo Clusters via Extraframework Al in Mordenite for Methane Oxidation." J. Am. Chem. Soc. 145(32):17710-17719. DOI: 10.1021/jacs.3c04328.

Tian JS, G Collinge, SF Yuk, JD Lin, VA Glezakou, MS Lee, Y Wang, and R Rousseau. 2023. "Dynamically Formed Active Sites on Liquid Boron Oxide for Selective Oxidative Dehydrogenation of Propane." ACS Catal. 13(12):8219-8236. DOI: 10.1021/acscatal.3c01759.

Tran BL, JD Erickson, AL Speelman, and RM Bullock. 2023. "Mechanistic Studies of Carbonyl Allylation Mediated by (NHC)CuH: Isoprene Insertion, Allylation, and β-Hydride Elimination." Inorg. Chem. DOI: 10.1021/acs.inorgchem.2c03402.

Unsleber JP, HB Liu, L Talirz, T Weymuth, M Moerchen, A Grofe, D Wecker, CJ Stein, A Panyala, B Peng, K Kowalski, M Troyer, and M Reiher. 2023. "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation." J. Chem. Phys. 158(8). DOI: 10.1063/5.0136526.

Walter ED, DF Zhang, Y Chen, KS Han, JD Bazak, S Burton, K O'Harra, DW Hoyt, JE Bara, D Malhotra, SI Allec, VA Glezakou, DJ Heldebrant, and R Rousseau. 2023. "Enhancing CO₂ Transport Across a PEEK-Ionene Membrane and Water-Lean Solvent Interface." ChemSusChem. DOI: 10.1002/cssc.202300157.

Wang MY, KC Chukwu, BA Muhich, WS Samarakoon, ZZ He, M Lucero, CW Chang, AL Chang, DQ Yang, S Kaur, AT N'Diaye, GE Sterbinsky, YG Du, L Fei, L Arnadóttir, and ZX Feng. 2023. "The role of nonmetallic ion substitution in perovskite LaCoO₃ for improved oxygen evolution reaction activity." Electrochim. Acta 466. DOI: 10.1016/j.electacta.2023.143034.

Wang T, AM Gaffney, and DJ Heldebrant. 2023. "Editorial: Rising stars in carbon capture, utilization and storage: 2022." Frontiers in Energy Research 11. DOI: 10.3389/fenrg.2023.1167769.

Wang Y, XF Chen, H Shi, and JA Lercher. 2023. "Catalytic reforming of methane with H₂S via dynamically stabilized sulfur on transition metal oxides and sulfides." Nature Catalysis. DOI: 10.1038/s41929-02300922-7.

Weakly RB, CE Liekhus-Schmaltz, BI Poulter, E Biasin, R Alonso-Mori, A Aquila, S Boutet, FD Fuller, PJ Ho, T Kroll, CM Loe, A Lutman, DL Zhu, U Bergmann, RW Schoenlein, N Govind, and M Khalil. 2023. "Revealing core-valence interactions in solution with femtosecond X-ray pump X-ray probe spectroscopy." Nat. Commun. 14(1). DOI: 10.1038/s41467-023-39165-2.

Wei YH, ET Nienhuis, ST Mergelsberg, TR Graham, Q Guo, GK Schenter, CI Pearce, and AE Clark. 2023. "Cation coordination polyhedra lead to multiple lengthscale organization in aqueous electrolytes." Chem. Commun. DOI: 10.1039/d3cc02416d.

Wu YQ, YL Wang, ED Walter, KG Rappe, Y Wang, and F Gao. 2023. "Insights into palladium poisoning of Cu/SSZ-13 selective catalytic reduction catalysts." Appl. Catal. B 331. DOI: 10.1016/j.apcatb.2023.122673.

Wu YQ, WR Zhao, SH Ahn, YL Wang, ED Walter, Y Chen, MA Derewinski, NM Washton, KG Rappe, Y Wang, DH Mei, SB Hong, and F Gao. 2023. "Interplay between copper redox and transfer and support acidity and topology in low temperature NH₃-SCR." Nat. Commun. 14(1). DOI: 10.1038/s41467-023-38309-8.

Xu MZ, JA Lopez-Ruiz, NW Riedel, RS Weber, ME Bowden, L Kovarik, CL Jiang, JL Hu, and RA Dagle. 2023. "Promotional role of NiCu alloy in catalytic performance and carbon properties for CO₂-free H₂ production from thermocatalytic decomposition of methane." Catal. Sci. Technol. 13(11):3231-3244. DOI: 10.1039/d2cy01782b.

Yeh B, S Chheda, J Zheng, J Schmid, L Lobbert, R Bermejo-Deval, OY Gutierrez, JA Lercher, L Gagliardi, and A Bhan. 2023. "Validation of the Cossee-Arlman mechanism for propylene oligomerization on Ni/UiO-66." Catal. Sci. Technol. 13(14):4213-4222. DOI: 10.1039/d3cy00570d.

Zhang JH, WD Hu, BB Qian, HQ Li, B Sudduth, M Engelhard, L Zhang, JZ Hu, JM Sun, CB Zhang, H He, and Y Wang. 2023. "Tuning hydrogenation chemistry of Pd-based heterogeneous catalysts by introducing homogeneous-like ligands." Nat. Commun. 14(1). DOI: 10.1038/s41467-023-39478-2.

Zhang W, S Kim, L Wahl, R Khare, L Hale, JZ Hu, DM Camaioni, OY Gutierrez, Y Liu, and JA Lercher. 2023. "Low-temperature upcycling of polyolefins into liquid alkanes via tandem cracking-alkylation." Science 379(6634):807-811. DOI: 10.1126/science.ade7485.

Zhang WL, YC Zhou, XY Hu, Y Ding, J Gao, ZY Luo, TT Li, N Kane, XY Yu, T Terlier, and ML Liu. 2023. "A Synergistic Three-Phase, Triple-Conducting Air Electrode for Reversible Proton-Conducting Solid Oxide Cells." ACS Energy Letters 8(10):3999-4007. DOI: 10.1021/acsenergylett.3c01251.

Zhang ZH, JS Tian, YB Lu, SZ Yang, D Jiang, WX Huang, YX Li, JY Hong, AS Hoffman, SR Bare, MH Engelhard, AK Datye, and Y Wang. 2023. "Memory-dictated dynamics of single-atom Pt on CeO₂ for CO oxidation." Nat. Commun. 14(1). DOI: 10.1038/s41467-023-37776-3.

Zhao RX, GL Haller, and JA Lercher. 2023. "Alkene adsorption and cracking on acidic zeolites-A gradual process of understanding." Microporous Mesoporous Mat. 358. DOI: 10.1016/j.micromeso.2022.112390.

Zhao RX, R Khare, Y Zhang, M Sanchez-Sanchez, R Bermejo-Deval, Y Liu, and JA Lercher. 2023. "Promotion of adsorptive and catalytic properties of zeolitic Brønsted acid sites by proximal extra framework Si(OH)_x groups." Nature Catalysis 6(1):68-79. DOI: 10.1038/s41929-022-00906-z.

Zhao XD, YX Luo, JJ Liu, WJ Liu, KM Rosso, XF Guo, T Geng, A Li, and X Zhang. 2023. "Machine Learning Automated Analysis of Enormous Synchrotron X-ray Diffraction Datasets." J. Phys. Chem. C 127(30):14830-14838. DOI: 10.1021/acs.jpcc.3c03572.

Zhou J, P Yang, PA Kots, M Cohen, Y Chen, CM Quinn, MD De Mello, J Anibal Boscoboinik, WJ Shaw, S Caratzoulas, W Zheng, and DG Vlachos. 2023. "Tuning the reactivity of carbon surfaces with oxygen-containing functional groups." Nat. Commun. 14(1). DOI: 10.1038/s41467-023-37962-3.

2022

Allendorf MD, V Stavila, JL Snider, M Witman, ME Bowden, K Brooks, BL Tran, and T Autrey. 2022. "Challenges to developing materials for the transport and storage of hydrogen." Nat. Chem. 14(11):1214-+. DOI: 10.1038/s41557-022-01056-2.

Arpini BH, AH Braga, LR Borges, P Vidinha, RV Goncalves, J Szanyi, and LM Rossi. 2022. "Tuning CO₂ hydrogenation selectivity by n-doped carbon coating over nickel nanoparticles supported on SiO₂." ACS Sustain. Chem. Eng. 10(7):2331-2342. DOI: 10.1021/acssuschemeng.1c05847.

Bagus PS, CJ Nelin, CR Brundle, BV Crist, N Lahiri, and KM Rosso. 2022. "Origin of the complex main and satellite features in Fe 2p XPS of Fe₂O₃." Phys. Chem. Chem. Phys. 24(7):4562-4575. DOI: 10.1039/d1cp04886d.

Barona M, SI Johnson, M Mbea, RM Bullock, and S Raugei. 2022. "Computational investigations of the reactivity of metalloporphyrins for ammonia oxidation." Top. Catal. 65(1-4):341-353. DOI: 10.1007/s11244-021-01511-3.

Barth I, J Akinola, J Lee, OY Gutierrez, U Sanyal, N Singh, and BR Goldsmith. 2022. "Explaining the structure sensitivity of Pt and Rh for aqueous-phase hydrogenation of phenol." J. Chem. Phys. 156(10). DOI: 10.1063/5.0085298.

Brown H, HL Wang, M Flanner, XH Liu, B Singh, RD Zhang, Y Yang, and MX Wu. 2022. "Brown carbon fuel and emission source attributions to global snow darkening effect." Journal of Advances in Modeling Earth Systems 14(4). DOI: 10.1029/2021MS002768.

Bylaska EJ, PG Tratnyek, TL Torralba-Sanchez, KC Edwards, DA Dixon, JJ Pignatello, and WQ Xu. 2022. "Computational Predictions of the Hydrolysis of 2,4,6-Trinitrotoluene (TNT) and 2,4-Dinitroanisole (DNAN) br." J. Phys. Chem. A. DOI: 10.1021/acs.jpca.2c06014.

Chen LX, L Kovarik, D Meira, and J Szanyi. 2022. "Differentiating and Understanding the Effects of Bulk and Surface Mo Doping on CO2 Hydrogenation over Pd/Anatase-TiO2." ACS Catal. 12(21):13492-13500. DOI: 10.1021/acscatal.2c03181.

Chen FY, ZY Wu, S Gupta, DJ Rivera, SV Lambeets, S Pecaut, JYT Kim, P Zhu, YZ Finfrock, DM Meira, G King, GH Gao, WQ Xu, DA Cullen, H Zhou, YM Han, DE Perea, CL Muhich, and HT Wang. 2022. "Efficient conversion of low-concentration nitrate sources into ammonia on a Ru-dispersed Cu nanowire electrocatalyst." Nat. Nanotechnol. DOI: 10.1038/s41565-022-01121-4.

Chen LX, YF Zhu, LC Meyer, LV Hale, TT Le, A Karkamkar, JA Lercher, OY Gutierrez, and J Szanyi. 2022. "Effect of reaction conditions on the hydrogenolysis of polypropylene and polyethylene into gas and liquid alkanes." Reaction Chemistry & Engineering. DOI: 10.1039/d1re00431j.

Cheng GH, W Zhang, A Jentys, EE Ember, OY Gutierrez, Y Liu, and JA Lercher. 2022. "Importance of interface open circuit potential on aqueous hydrogenolytic reduction of benzyl alcohol over Pd/C." Nat. Commun. 13(1). DOI: 10.1038/s41467-022-35554-1.

Cokic I, SF Chan, XM Guan, AR Nair, HJ Yang, T Liu, YY Chen, D Hernando, J Sykes, R Tang, J Butler, A Dohnalkova, L Kovarik, R Finney, A Kali, B Sharif, LS Bouchard, R Gupta, MS Krishnam, K Vora, B Tamarappoo, AG Howarth, A Kumar, J Francis, SB Reeder, JC Wood, FS Prato, and R Dharmakumar. 2022. "Intramyocardial hemorrhage drives fatty degeneration of infarcted myocardium." Nat. Commun. 13(1). DOI: 10.1038/s41467-022-33776-x.

Crandall BS, T Brix, RS Weber, and F Jiao. 2022. "Techno-Economic Assessment of Green H₂ Carrier Supply Chains." Energy Fuels. DOI: 10.1021/acs.energyfuels.2c03616.

Cronin DJ, S Subramaniam, C Brady, A Cooper, ZB Yang, J Heyne, C Drennan, KK Ramasamy, and MR Thorson. 2022. "Sustainable aviation fuel from hydrothermal liquefaction of wet wastes." Energies 15(4). DOI: 10.3390/en15041306.

D'Ambro EL, N Hyttinen, KH Moller, S Iyer, RV Otkjaer, DM Bell, JM Liu, FD Lopez-Hilfiker, S Schobesberger, JE Shilling, A Zelenyuk, HG Kjaergaard, JA Thornton, and T Kurten. 2022. "Pathways to highly oxidized products in the delta 3-carene + OH system." Environmental Science & Technology 56(4):2213-2224. DOI: 10.1021/acs.est.1c06949.

Egbert JD, K Grubel, DT Howe, RS Weber, AS Agarwal, and T Brix. 2022. "Process intensification for generating and decomposing formic acid, a liquid hydrogen carrier." IET Renewable Power Generation. DOI: 10.1049/rpg2.12381.

Fu YC, J Bao, RK Singh, RF Zheng, CM Anderson-Cook, KS Bhat, and ZJ Xu. 2000. "The influence of random packed column parameters on the liquid holdup and interfacial area." AIChE J. DOI: 10.1002/aic.17691.

Garcia-Vargas CE, G Collinge, DM Yun, MS Lee, V Muravev, YQ Su, XI Pereira-Hernandez, D Jiang, VA Glezakou, EJM Hensen, R Rousseau, AK Datye, and Y Wang. 2022. "Activation of Lattice and Adatom Oxygen by Highly Stable Ceria- Supported Cu Single Atoms." ACS Catal. DOI: 10.1021/acscatal.2c04001.

Gunasekara T, YC Tong, AL Speelman, JD Erickson, AM Appel, MB Hall, and ES Wiedner. 2022. "Role of high-spin species and pendant amines in electrocatalytic alcohol oxidation by a nickel phosphine complex." ACS Catal. 12(5):2729-2740. DOI: 10.1021/acscatal.1c05509.

Han J, L Wang, WJ Cao, QQ Yuan, XG Zhou, SL Liu, and XB Wang. 2022. "Manifesting Direction-Specific Complexation in [HFIP_-H•H₂O₂]^-: Exclusive Formation of a High-Lying Conformation." J. Phys. Chem. Lett. 13(36):8607-8612. DOI: 10.1021/acs.jpclett.2c02237.

Holmes JB, V Liu, BG Caulkins, E Hilario, RK Ghosh, VN Drago, RP Young, JA Romero, AD Gill, PM Bogie, J Paulino, XL Wang, G Riviere, YK Bosken, J Struppe, A Hassan, J Guidoulianov, B Perrone, F Mentink-Vigier, CEA Chang, JR Long, RJ Hooley, TC Mueser, MF Dunn, and LJ Mueller. 2022. "Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate." Proc. Natl. Acad. Sci. U. S. A. 119(2). DOI: 10.1073/pnas.2109235119.

Hu DY, K Dawson, M Zanella, TD Manning, LM Daniels, ND Browning, BL Mehdi, YB Xu, H Amari, JF Shin, MJ Pitcher, RY Chen, HJ Niu, BW Liu, M Bilton, J Kim, JB Claridge, and MJ Rosseinsky. 2022. "Enhanced long-term cathode stability by tuning interfacial nanocomposite for intermediate temperature solid oxide fuel cells." Advanced Materials Interfaces. DOI: 10.1002/admi.202102131.

Iii JER, AC Acosta, SY Kang, SC Li, AS Lipton, ME Bowden, NR Myllenbeck, A Schneemann, N Leick, A Bhandarkar, C Reed, RD Horton, T Gennett, BC Wood, MD Allendorf, and V Stavila. 2022. "Teaching an Old Reagent New Tricks: Synthesis, Unusual Reactivity, and Solution Dynamics of Borohydride Grignard Compounds." Organometallics 41(20):2823-2832. DOI: 10.1021/acs.organomet.2c00284.

Khivantsev K, NR Jaegers, L Kovarik, MA Derewinski, JH Kwak, and J Szanyi. 2022. "On the nature of extra-framework aluminum species and improved catalytic properties in steamed zeolites." Molecules 27(7). DOI: 10.3390/molecules27072352.

Leick N, BL Tran, ME Bowden, T Gennett, and T Autrey. 2022. "Thermal stability and structural studies on the mixtures of Mg(BH₄)₂ and glymes." Dalton. Trans. 51(18):7268-7273. DOI: 10.1039/d2dt01106a.

Li X, XI Pereira-Hernandez, YZ Chen, J Xu, JK Zhao, CW Pao, CY Fang, J Zeng, Y Wang, BC Gates, and JY Liu. 2022. "Functional CeO_x nanoglues for robust atomically dispersed catalysts." Nature 611(7935):284-+. DOI: 10.1038/s41586-022-05251-6.

Liekhus-Schmaltz C, ZW Fox, A Andersen, KS Kjaer, R Alonso-Mori, E Biasin, J Carlstad, M Chollet, JD Gaynor, JM Glownia, K Hong, T Kroll, JH Lee, BI Poulter, M Reinhard, D Sokaras, Y Zhang, G Doumy, AM March, SH Southworth, S Mukamel, AA Cordones, RW Schoenlein, N Govind, and M Khalil. 2022. "Femtosecond x-ray spectroscopy directly quantifies transient excited-state mixed valency." J. Phys. Chem. Lett. 13(1):378-386. DOI: 10.1021/acs.jpclett.1c03613.

Lin F, YB Lu, KA Unocic, SE Habas, MB Griffin, JA Schaidle, HM Meyer, Y Wang, and HM Wang. 2022. "Deactivation by potassium accumulation on a Pt/TiO₂ bifunctional catalyst for biomass catalytic fast pyrolysis." ACS Catal. 12(1):465-480. DOI: 10.1021/acscatal.1c02368.

Lin F, K Rappe, L Kovarik, M Song, XS Li, M Engelhard, and Y Wang. 2022. "Effects of high-temperature CeO₂ calcination on the activity of Pt/CeO₂ catalysts for oxidation of unburned hydrocarbon fuels." Catal. Sci. Technol. 12(8):2462-2470. DOI: 10.1039/d2cy00030j.

Liu J, ZY Huang, M Fan, JH Yang, J Xiao, and Y Wang. 2022. "Future energy infrastructure, energy platform and energy storage." Nano Energy 104. DOI: 10.1016/j.nanoen.2022.107915.

Liu Q, N Pfriem, GH Cheng, E Barath, Y Liu, and JA Lercher.  2022. "Maximum Impact of Ionic Strength on Acid-Catalyzed Reaction Rates Induced by a Zeolite Microporous Environment." Angew. Chem., Int. Ed. DOI: 10.1002/anie.202208693.

Long XH, W Setyawan, KP Tai, Y Liu, MS Yu, ZQ Wang, N Gao, and XL Wang. 2022. "Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method." Carbon 191:350-361. DOI: 10.1016/j.carbon.2022.01.059.

Makos MZ, PK Gurunathan, S Raugei, K Kowalski, VA Glezakou, and R Rousseau. 2022. "Modeling Absolute Redox Potentials of Ferrocene in the Condensed Phase." J. Phys. Chem. Lett. 13(42):10005-10010. DOI: 10.1021/acs.jpclett.2c02447.

Meyer LC, U Sanyal, KA Stoerzinger, K Koh, JL Fulton, DM Camaioni, OY Gutierrez, and JA Lercher. 2022. "Influence of the Molecular Structure on the Electrocatalytic Hydrogenation of Carbonyl Groups and H₂ Evolution on Pd." ACS Catal. 12(19):11910-11917. DOI: 10.1021/acscatal.2c0320711910.

Moore C, DF Zhang, R Rousseau, VA Glezakou, and JS McEwen. 2022. "Determining the adsorption energetics of 2,3-butanediol on RuO₂(110): coupling first-principles calculations with global optimizers." Frontiers in Energy Research 9. DOI: 10.3389/fenrg.2021.781001.

Nayyar IH, B Ginovska, M Bowden, G Edvenson, B Tran, and T Autrey. 2022. "Analysis of intermediates and products from the dehydrogenation of Mg(BH₄)₂." J. Phys. Chem. A 126(3):444-452. DOI: 10.1021/acs.jpca.1c09690.

Pang Q, M Song, R Kalsar, VV Joshi, and PV Sushko. 2022. "Water adsorption and surface atom detachment on Zn, Al, Ce-doped Mg surfaces." Magnesium Technology 2022:291-292. DOI: 10.1007/978-3-030-92533-8_48.

Peng P, A Anastasopoulou, K Brooks, H Furukawa, ME Bowden, JR Long, T Autrey, and H Breunig. 2022. "Cost and potential of metal-organic frameworks for hydrogen back-up power supply." Nature Energy. DOI: 10.1038/s41560-022-01013-w.

Petrik NG, MD Baer, CJ Mundy, and GA Kimmel. 2022. "Mixed Molecular and Dissociative Water Adsorption on Hydroxylated TiO₂(110): An Infrared Spectroscopy and Ab Initio Molecular Dynamics Study." J. Phys. Chem. C. DOI: 10.1021/acs.jpcc.2c07063.

Phillips SD, SB Jones, PA Meyer, and LJ Snowden-Swan. 2022. "Techno-economic analysis of cellulosic ethanol conversion to fuel and chemicals." Biofuels Bioproducts & Biorefining-Biofpr. DOI: 10.1002/bbb.2346.

Piccini GM, MS Lee, SF Yuk, DF Zhang, G Collinge, L Kollias, MT Nguyen, VA Glezakou, and R Rousseau. 2022. "Ab initio molecular dynamics with enhanced sampling in heterogeneous catalysis." Catal. Sci. Technol. 12(1):12-37. DOI: 10.1039/d1cy01329g.

Ruan H, ZY Xu, A Kumar, MQ Feng, AS Lipton, ED Walter, R Gieleciak, HP Paudel, YH Duan, and B Yang. 2022.  "Elucidating the Reaction Pathways of Veratrylglycero-beta-Guaiacyl Ether Degradation over Metal-Free Solid Acid Catalyst with Hydrogen." ChemSusChem. DOI: 10.1002/cssc.202202001.

Santosa DM, LM Wendt, BD Wahlen, AJ Schmidt, J Billing, IV Kutnyakov, RT Hallen, MR Thorson, TL Oxford, and DB Anderson. 2022. "Impact of storage and blending of algae and forest product residue on fuel blendstock production." Algal Research-Biomass Biofuels and Bioproducts 62. DOI: 10.1016/j.algal.2021.102622.

Song I, K Khivantsev, Y Wang, and J Szanyi. 2022. "Elucidating the role of CO in the NO storage mechanism on Pd/SSZ-13 with in situ DRIFTS." J. Phys. Chem. C. DOI: 10.1021/acs.jpcc.1c10163.

Sudduth B, JM Sun, and Y Wang. 2022. "Chemical grafting of highly dispersed VO_x/CeO₂ for increased catalytic activity in methanol oxidative dehydrogenation." Catal. Lett. DOI: 10.1007/s10562-021-03862-8.

Tian HY, WL Zhu, QR Shi, SC Ding, ZY Lyu, MJ Xu, XQ Pan, MH Engelhard, D Dan, and YH Lin. 2022. "Bimetallic IrxPb nanowire networks with enhanced electrocatalytic activity for the oxygen evolution reaction." Journal of Materials Chemistry A. DOI: 10.1039/d2ta00870j.

Qiu Y, JA Lopez-Ruiz, GM Zhu, MH Engelhard, OY Gutierrez, and JD Holladay. 2022. "Electrocatalytic decarboxylation of carboxylic acids over RuO₂ and Pt nanoparticles." Appl. Catal. B 305. DOI: 10.1016/j.apcatb.2021.121060.

Wan LF, T Autrey, and BC Wood. 2022. "First-principles elucidation of initial dehydrogenation pathways in Mg(BH₄)₂." J. Phys. Chem. Lett. 13(8):1908-1913. DOI: 10.1021/acs.jpclett.2c00112.

Wang L, MD Hossain, YG Du, and SA Chambers. 2022. "Exploring the potential of high entropy perovskite oxides as catalysts for water oxidation." Nano Today 47. DOI: 10.1016/j.nantod.2022.101697.

Wang XJ, ZH Syed, ZHY Chen, JD Bazak, XY Gong, MC Wasson, NM Washton, KW Chapman, JM Notestein, and OK Farha. 2022. "Enhanced Catalytic Performance of a Ce/V Oxo Cluster through Confinement in Mesoporous SBA-15." ACS Appl. Mater. Interfaces. DOI: 10.1021/acsami.2c15046.

Winkelman AD, VL Dagle, TL Lemmon, L Kovarik, Y Wang, and RA Dagle. 2022. "Effect of alkali metal addition on catalytic performance of Ag/ZrO₂/SBA-16 catalyst for single-step conversion of ethanol to butadiene." Catal. Sci. Technol. DOI: 10.1039/d2cy01722a.

Xiao J, C Anderson, X Cao, HJ Chang, RZ Feng, Q Huang, Y Jin, H Job, JM Kim, PML Le, DAY Liu, L Seymour, N Shamim, LL Shi, and B Sivakumar. 2022. "Perspective-electrochemistry in understanding and designing electrochemical energy storage systems." J. Electrochem. Soc. 169(1). DOI: 10.1149/1945-7111/ac4a55.

Yu IKM, FL Deng, X Chen, GH Cheng, Y Liu, W Zhang, and JA Lercher. 2022. "Impact of hydronium ions on the Pd-catalyzed furfural hydrogenation." Nat. Commun. 13(1). DOI: 10.1038/s41467-022-346088.

Yun TG, Y Sim, Y Lim, D Kim, JS An, HYD Lee, YG Du, and SY Chung. 2022. "Surface dissolution and amorphization of electrocatalysts during oxygen evolution reaction: Atomistic features and viewpoints." Materials Today 58:221-237. DOI: 10.1016/j.mattod.2022.06.023.

Yu YX, HY Sintim, AF Astner, DG Hayes, A Bary, A Zelenyuk, O Qafoku, L Kovarik, and M Flury. 2022. "Enhanced transport of TiO₂ in unsaturated sand and soil after release from biodegradable plastic during composting." Environmental Science & Technology 56(4):2398-2406. DOI: 10.1021/acs.est.1c07169.

Yuk SF, MS Lee, SA Akhade, MT Nguyen, VA Glezakou, and R Rousseau. 2022. "First-principle investigation on catalytic hydrogenation of benzaldehyde over Pt-group metals." Catal. Today 388:208-215. DOI: 10.1016/j.cattod.2020.07.039.

Zhu C, OY Gutierrez, DM Santosa, M Flake, R Weindl, I Kutnyakov, H Shi, and HM Wang. 2022. "Kinetics of nitrogen-, oxygen- and sulfur-containing compounds hydrotreating during co-processing of bio-crude with petroleum stream." Appl. Catal. B 307. DOI: 10.1016/j.apcatb.2022.121197.

Zhu C, OY Gutierrez, DM Santosa, I Kutnyakov, R Weindl, H Shi, and HM Wang. 2022. "Impact of Coprocessing Biocrude with Petroleum Stream on Hydrotreating Catalyst Stability." Energy Fuels 36(16):9133-9146. DOI: 10.1021/acs.energyfuels.2c01748.

2021

• Research highlight: Ion Strength in Zeolite Pores Controls Rates of Dehydration

Adhikari NM, A Tuladhar, ZM Wang, JJ De Yoreo, and KM Rosso. 2021. "No Hydrogen Bonding between Water and Hydrophilic Single Crystal MgO Surfaces?" J. Phys. Chem. C 125(47):26132-26138. DOI: 10.1021/acs.jpcc.1c06486.

Adiga P, N Doi, CY Wong, DM Santosa, LJ Kuo, GA Gill, JA Silverstein, NM Avalos, JV Crum, MH Engelhard, KA Stoerzinger, and RM Asmussen. 2021. "The Influence of Transitional Metal Dopants on Reducing Chlorine Evolution during the Electrolysis of Raw Seawater." Applied Sciences-Basel 11(24). DOI: 10.3390/app112411911.

Alcala R, A DeLaRiva, EJ Peterson, A Benavidez, CE Garcia-Vargas, D Jiang, XI Pereira-Hernandez, HH Brongersma, R ter Veen, J Stanek, JT Miller, Y Wang, and A Datye. 2021. "Atomically Dispersed Dopants for Stabilizing Ceria Surface Area." Applied Catalysis B 284. DOI: 10.1016/j.apcatb.2020.119722.

Barona M, SI Johnson, M Mbea, RM Bullock, and S Raugei. 2021. "Computational Investigations of the Reactivity of Metalloporphyrins for Ammonia Oxidation." Top. Catal. DOI: 10.1007/s11244-021-01511-3.

Biddinger EJ, OY Gutierrez, and J Holladay. 2021. "Electrochemical routes for biomass conversion." Journal of Applied Electrochemistry 51(1):1-3. DOI: 10.1007/s10800-020-01525-x.

Bowers GM, ED Walter, SD Burton, KC Schwarz, DW Hoyt, and RJ Kirkpatrick. 2020. "Probing Pore Size and Connectivity in Porous Silicas Using C-13 MAS NMR Spectroscopy of Supercritical Methane." The Journal of Physical Chemistry C 124(21):11536-11543. DOI: 10.1021/acs.jpcc.0c02718.

Bylaska EJ, D Song, NP Bauman, K Kowalski, D Claudino, and TS Humble. 2021. "Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations." Frontiers in Chemistry 9. DOI: 10.3389/fchem.2021.603019.

Chen F, M Shetty, M Wang, H Shi, YS Liu, DM Camaioni, OY Gutierrez, and JA Lercher. 2021. "Differences in Mechanism and Rate of Zeolite-Catalyzed Cyclohexanol Dehydration in Apolar and Aqueous Phase." ACS Catalysis 11(5):2879-2888. DOI: 10.1021/acscatal.0c05674.

Chen LX, L Kovarik, and J Szanyi. 2021. "Temperature-Dependent Communication between Pt/Al₂O₃ Catalysts and Anatase TiO₂ Dilutant: the Effects of Metal Migration and Carbon Transfer on the Reverse Water-Gas Shift Reaction." ACS Catal. 11(19):12058-12067. DOI: 10.1021/acscatal.1c03133.

Cheng GH, A Jentys, OY Gutierrez, Y Liu, YH Chin, and JA Lercher. 2021. "Critical role of solvent-modulated hydrogen-binding strength in the catalytic hydrogenation of benzaldehyde on palladium." Nature Catalysis 4(11):976-985. DOI: 10.1038/s41929-021-00701-2.

• Research highlight: Solvent Plays a Critical Role in Controlling Hydrogen Binding Strength on Palladium

Chen L, RS Smith, BD Kay, and Z Dohnalek. 2021. "Formation of Gas-Phase Allyl Radicals from Glycerol on Rutile TiO₂(110)." The Journal of Physical Chemistry C 125(13):7227-7239. DOI: 10.1021/acs.jpcc.1c00991.

Carvalho OQ, P Adiga, SK Murthy, JL Fulton, OY Gutierrez, and KA Stoerzinger. 2020. "Understanding the Role of Surface Heterogeneities in Electrosynthesis Reactions." iscience 23(12). DOI: 10.1016/j.isci.2020.101814.

Deng FL, JJ Huang, EE Ember, K Achterhold, M Dierolf, A Jentys, Y Liu, F Pfeiffer, and JA Lercher. 2021. "On the Mechanism of Catalytic Decarboxylation of Carboxylic Acids on Carbon-Supported Palladium Hydride." ACS Catal. 11(23):14625-14634. DOI: 10.1021/acscatal.1c03869.

Deskins NA, GA Kimmel, and NG Petrik. 2020. "Observation of Molecular Hydrogen Produced from Bridging Hydroxyls on Anatase TiO₂`(101)." The Journal of Physical Chemistry Letters 11(21):9289-9297. DOI: 10.1021/acs.jpclett.0c02735.

Devanathan R, D Choi, O Marina, J Matyas, and S Baskaran. 2021. "Ceramic and glass materials for a sustainable energy future." Journal of the American Ceramic Society Bull. 100(2):28-32.

Dey A, FA Houle, CE Lubner, M Sevilla, and WJ Shaw. 2021. "Introduction to (photo)electrocatalysis for renewable energy." Chemical Communications 57(13):1540-1542. DOI: 10.1039/d0cc90530e.

Ding SC, ZY Lyu, H Zhong, D Liu, E Sarnello, LZ Fang, MJ Xu, MH Engelhard, HY Tian, T Li, XQ Pan, SP Beckman, S Feng, D Du, JC Li, MH Shao, and YH Lin. 2021. "An Ion-Imprinting Derived Strategy to Synthesize Single-Atom Iron Electrocatalysts for Oxygen Reduction." Small 17(16). DOI: 10.1002/smll.202004454.

Doll CG, AE Plymale, A Cooper, I Kutnyakov, M Swita, T Lemmon, MV Olarte, and HM Wang. 2021. "Determination of low-level biogenic gasoline, jet fuel, and diesel in blends using the direct liquid scintillation counting method for C-14 content." Fuel 291. DOI: 10.1016/j.fuel.2020.120084.

Doudin N, G Collinge, PK Gurunathan, MS Lee, VA Glezakou, R Rousseau, and Z Dohnalek. 2021. "Creating self-assembled arrays of mono-oxo (MoO₃)(1) species on TiO₂(101) via deposition and decomposition of (MoO₃)(n) oligomers." Proceedings of the National Academy of Sciences of the United States of America 118(4). DOI: 10.1073/pnas.2017703118.

Du L, V Prabhakaran, XH Xie, S Park, Y Wang, and YY Shao. 2021. "Low-PGM and PGM-Free Catalysts for Proton Exchange Membrane Fuel Cells: Stability Challenges and Material Solutions." Adv. Mater. 33(6). DOI: 10.1002/adma.201908232.

Fantuzzi F, MAC Nascimento, B Ginovska, RM Bullock, and S Raugei. 2021. "Splitting of multiple hydrogen molecules by bioinspired diniobium metal complexes: a DFT study." Dalton Transactions 50(3). DOI: 10.1039/d0dt03411h.

Galhardo TS, AH Braga, BH Arpini, J Szanyi, RV Goncalves, BF Zornio, CR Miranda, and LM Rossi. 2021. "Optimizing Active Sites for High CO Selectivity during CO₂ Hydrogenation over Supported Nickel Catalysts." The Journal of the American Chemical Society 143(11):4268-4280. DOI: 10.1021/jacs.0c12689.

Gao F and TJ Toops. 2021. "Selective Catalytic Reduction: From Basic Science to deNOx Applications." Catalysts 11(2). DOI: 10.3390/catal11020250.

Gibson LD, J Pfaendtner, and CJ Mundy. 2021. "Probing the thermodynamics and kinetics of ethylene carbonate reduction at the electrode-electrolyte interface with molecular simulations." J. Chem. Phys. 155(20). DOI: 10.1063/5.0067687.

Giustra ZX, G Chen, M Vasiliu, A Karkamkar, T Autrey, DA Dixon, and SY Liu. 2021. "A comparison of hydrogen release kinetics from 5-and 6-membered 1,2-BN-cycloalkanes." Rsc Advances 11(54):34132-34136. DOI: 10.1039/d1ra07477f.

Guo MF, MJ Gray, H Job, C Alvarez-Vasco, S Subramaniam, X Zhang, L Kovarik, V Murugesan, S Phillips, and KK Ramasamy. 2021. "Uncovering the active sites and demonstrating stable catalyst for the cost-effective conversion of ethanol to 1-butanol." Green Chem. 23(20):8030-8039. DOI: 10.1039/d1gc01979a.

Gurunathan PK, DF Zhang, VA Glezakou, R Rousseau, HM Wang, AL Church, W Beatrez, MZ Hu, and SJ Lee. 2021. "Computational and Experimental Study for the Denitrification of Biomass-Derived Hydrothermal Liquefaction Oil." ACS Sustain. Chem. Eng. 9(40):13406-13413. DOI: 10.1021/acssuschemeng.1c02824.

Harouaka K, C Allen, E Bylaska, RM Cox, GC Eiden, ML di Vacri, EW Hoppe, and IJ Arnquist. 2021. "Gas-phase ion-molecule interactions in a collision reaction cell with triple quadrupole-inductively coupled plasma mass spectrometry: Investigations with N₂O as the reaction gas." Spectrochimica Acta Part B-Atomic Spectroscopy 186. DOI: 10.1016/j.sab.2021.106309.

Holladay JE, JL Male, R Rousseau, and RS Weber. 2020. "Synthesizing Clean Transportation Fuels from CO₂ Will at Least Quintuple the Demand for Non-carbogenic Electricity in the United States." Energy Fuels 34(12):15433-15442. DOI: 10.1021/acs.energyfuels.0c02595.

Hu MC, ZY Wu, ZH Yao, JS Young, LL Luo, YG Du, CM Wang, Z Iqbal, and XQ Wang. 2021. "N-8 stabilized single-atom Pd for highly selective hydrogenation of acetylene." Journal of Catalysis 395:46-53. DOI: 10.1016/j.jcat.2020.12.009.

Huang Q, M Tokmina-Lukaszewska, LE Johnson, H Kallas, B Ginovska, JW Peters, LC Seefeldt, B Bothner, and S Raugei. 2021. "Mechanical coupling in the nitrogenase complex." Plos Computational Biology 17(3). DOI: 10.1371/journal.pcbi.1008719.

Jaegers NR, WD Hu, Y Wang, and JZ Hu. 2020. "High-Temperature and High-Pressure In situ Magic Angle Spinning Nuclear Magnetic Resonance Spectroscopy." Jove-Journal of Visualized Experiments (164). DOI: 10.3791/61794.

Jiang D, K Khivantsev, and Y Wang. 2020. "Low-Temperature Methane Oxidation for Efficient Emission Control in Natural Gas Vehicles: Pd and Beyond." ACS Catalysis 10(23):14304-14314. DOI: 10.1021/acscatal.0c03338.

Jiang D, YG Yao, TY Li, G Wan, XI Pereira-Hernandez, YB Lu, JS Tian, K Khivantsev, MH Engelhard, CJ Sun, CE Garcia-Vargas, AS Hoffman, SR Bare, AK Datye, LB Hu, and Y Wang. 2021. "Tailoring the Local Environment of Platinum in Single-Atom Pt₁/CeO₂ Catalysts for Robust Low-Temperature CO Oxidation." Angew. Chem., Int. Ed. 60(50):26054-26062. DOI: 10.1002/anie.202108585.

Jiang Y, SD Phillips, A Singh, SB Jones, and DJ Gaspar. 2021. "Potential economic values of low-vapor-pressure gasoline-range bio-blendstocks: Property estimation and blending optimization." Fuel 297. DOI: 10.1016/j.fuel.2021.120759.

Khivantsev K, NR Jaegers, HA Aleksandrov, L Kovarik, MA Derewinski, Y Wang, GN Vayssilov, and J Szanyi. 2021. "Biomimetic CO oxidation below-100 degrees C by a nitrate-containing metal-free microporous system." Nat. Commun. 12(1). DOI: 10.1038/s41467-021-26157-3.

Khivantsev K, CG Vargas, JS Tian, L Kovarik, NR Jaegers, J Szanyi, and Y Wang. 2021. "Economizing on Precious Metals in Three-Way Catalysts: Thermally Stable and Highly Active Single-Atom Rhodium on Ceria for NO Abatement under Dry and Industrially Relevant Conditions**." Angew. Chem., Int. Ed. 60(1):391-398. DOI: 10.1002/anie.202010815.

Khivantsev K, XY Wei, L Kovarik, NR Jaegers, ED Walter, P Tran, Y Wang, and J Szanyi. 2021.  "Palladium/Ferrierite versus Palladium/SSZ-13 Passive NOx Adsorbers: Adsorbate-Controlled Location of Atomically Dispersed Palladium(II) in Ferrierite Determines High Activity and Stability**." Angew. Chem., Int. Ed. DOI: 10.1002/anie.202107554.

Kim Y, G Collinge, MS Lee, K Khivantsev, SJ Cho, VA Glezakou, R Rousseau, J Szanyi, and JH Kwak. 2021. "Surface Density Dependent Catalytic Activity of Single Palladium Atoms Supported on Ceria**." Angew. Chem., Int. Ed. 60(42):22769-22775. DOI: 10.1002/anie.202105750.

Kothandaraman J, JS Lopez, Y Jiang, ED Walter, SD Burton, RA Dagle, and DJ Heldebrant. 2021. "Integrated Capture and Conversion of CO₂ to Methane Using a Water-lean, Post-Combustion CO₂ Capture Solvent." ChemSusChem 14(21):4812-4819. DOI: 10.1002/cssc.202101590.

Kovarik L, M Bowden, and J Szanyi. 2021. "High temperature transition aluminas in delta-Al₂O₃/theta-Al₂O₃ stability range: Review." Journal of Catalysis 393:357-368. DOI: 10.1016/j.jcat.2020.10.009.

Kowalski K, R Bair, NP Bauman, JS Boschen, EJ Bylaska, J Daily, WA de Jong, T Dunning, N Govind, RJ Harrison, M Keceli, K Keipert, S Krishnamoorthy, S Kumar, E Mutlu, B Palmer, A Panyala, B Peng, RM Richard, TP Straatsma, P Sushko, EF Valeev, M Valiev, HJJ van Dam, JM Waldrop, DB Williams-Young, C Yang, M Zalewski, and TL Windus. 2021. "From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape." Chemical Reviews 121(8):4962-4998. DOI: 10.1021/acs.chemrev.0c00998.

Lai JK, NR Jaegers, B Lis, MY Guo, ME Ford, E Walter, Y Wang, JZ Hu, and IE Wachs. 2021. "Structure-Activity Relationships of Hydrothermally Aged Titania-Supported Vanadium-Tungsten Oxide Catalysts for SCR of NO_x Emissions with NH₃." ACS Catal. 11(19):12096-12111. DOI: 10.1021/acscatal.1c02130.

Laureanti JA, QW Su, and WJ Shaw. 2021. "A protein scaffold enables hydrogen evolution for a Ni-bisdiphosphine complex." Dalton. Trans. 50(43):15754-15759. DOI: 10.1039/d1dt03295j.

Li HQ, JF Pang, NR Jaegers, L Kovarik, M Engelhard, AW Savoy, JZ Hu, JM Sun, and Y Wang. 2021. "Conversion of ethanol to 1,3-butadiene over Ag-ZrO₂/SiO₂ catalysts: The role of surface interfaces." Journal of Energy Chemistry 54:7-15. DOI: 10.1016/j.jechem.2020.05.038.

Li WH, MG Taylor, D Bayerl, S Mozaffari, M Dixit, S Ivanov, S Seifert, B Lee, N Shanaiah, YB Lu, L Kovarik, G Mpourmpakis, and AM Karim. 2021. "Solvent manipulation of the pre-reduction metal-ligand complex and particle-ligand binding for controlled synthesis of Pd nanoparticles." Nanoscale 13(1):206-217. DOI: 10.1039/d0nr06078j.

Lin F, VL Dagle, AD Winkelman, M Engelhard, L Kovarik, YL Wang, Y Wang, R Dagle, and HM Wang. 2021. "Understanding the Deactivation of Ag-ZrO₂/SiO₂ Catalysts for the Single-step Conversion of Ethanol to Butenes." Chemcatchem 13(3):999-1008. DOI: 10.1002/cctc.202001488.

Lin F, YB Lu, KA Unocic, SE Habas, MB Griffin, JA Schaidle, HM Meyer, Y Wang, and HM Wang. 2021. "Deactivation by Potassium Accumulation on a Pt/TiO₂ Bifunctional Catalyst for Biomass Catalytic Fast Pyrolysis." ACS Catal. DOI: 10.1021/acscatal.1c02368.

Liu J, YM Cai, RB Song, SC Ding, ZY Lyu, YC Chang, HY Tian, X Zhang, D Du, WL Zhu, Y Zhou, and YH Lin. 2021. "Recent progress on single-atom catalysts for CO₂ electroreduction." Materials Today 48:95-114. DOI: 10.1016/j.mattod.2021.02.005.

Liu JL, AJR Hensley, G Giannakakis, AJ Therrien, A Sukkar, AC Schilling, K Groden, N Ulumuddin, RT Hannagan, MY Ouyang, M Flytzani-Stephanopoulos, JS McEwen, and ECH Sykes. 2021. "Developing single-site Pt catalysts for the preferential oxidation of CO: A surface science and first principles-guided approach." Appl. Catal. B 284. DOI: 10.1016/j.apcatb.2020.119716.

Liu YS, GH Cheng, E Barath, H Shi, and JA Lercher. 2021. "Alkylation of lignin-derived aromatic oxygenates with cyclic alcohols on acidic zeolites." Appl. Catal. B 281. DOI: 10.1016/j.apcatb.2020.119424.

Loe CM, C Liekhus-Schmaltz, N Govind, and M Khalil. 2021. "Spectral Signatures of Ultrafast Excited-State Intramolecular Proton Transfer from Computational Multi-edge Transient X-ray Absorption Spectroscopy." J. Phys. Chem. Lett. 12(40):9840-9847. DOI: 10.1021/acs.jpclett.1c02483.

Lopez-Ruiz JA, Y Qiu, E Andrews, OY Gutierrez, and JD Holladay. 2021. "Electrocatalytic valorization into H₂ and hydrocarbons of an aqueous stream derived from hydrothermal liquefaction." Journal of Applied Electrochemistry 51(1):107-118. DOI: 10.1007/s10800-020-01452-x.

Lu YB, ZH Zhang, HM Wang, and Y Wang. 2021. "Toward efficient single-atom catalysts for renewable fuels and chemicals production from biomass and CO₂." Applied Catalysis B 292. DOI: 10.1016/j.apcatb.2021.120162.

Lukoyanov DA, ZY Yang, DR Dean, LC Seefeldt, S Raugei, and BM Hoffman. 2020. "Electron Redistribution within the Nitrogenase Active Site FeMo-Cofactor During Reductive Elimination of H₂ to Achieve N equivalent to N Triple-Bond Activation." The Journal of the American Chemical Society. 142(52):21679-21690. DOI: 10.1021/jacs.0c07914.

Ma RS, U Sanyal, MV Olarte, HM Job, MS Swita, SB Jones, PA Meyer, SD Burton, JR Cort, ME Bowden, XW Chen, MP Wolcott, and X Zhang. 2021. "Role of peracetic acid on the disruption of lignin packing structure and its consequence on lignin depolymerisation." Green Chem. 23(21):8468-8479. DOI: 10.1039/d1gc02300d.

Ma Y, XD Wu, JC Ding, LP Liu, BF Jin, ED Walter, R Ran, ZC Si, F Gao, and D Weng. 2021. "Quasi-operando quantification of Cu(ii) ions in Cu-SSZ-13 catalyst by an NH₃ temperature-programmed reduction method." Chemical Communications. 57(15):1891-1894. DOI: 10.1039/d0cc07346f.

Maddi B, S Davidson, H Job, R Dagle, M Guo, M Gray, and KK Ramasamy. 2021. "Production of Gaseous Olefins from Syngas over a Cobalt-HZSM-5 Catalyst." Catal. Lett. 151(2):526-537. DOI: 10.1007/s10562-020-03324-7.

Makeswaran N, D Das, V Zade, P Gaurav, V Shutthanandan, SS Tan, and CV Ramana. 2021. "Size- and Phase-Controlled Nanometer-Thick beta-Ga₂O₃ Films with Green Photoluminescence for Optoelectronic Applications." ACS  Applied Nano Materials 4(4):3331-3338. DOI: 10.1021/acsanm.1c00378.

Male JL, MCW Kintner-Meyer, and RS Weber. 2021. "The U.S. Energy System and the Production of Sustainable Aviation Fuel From Clean Electricity." Frontiers in Energy Research 9. DOI: 10.3389/fenrg.2021.765360.

Maluf NEC, AH Braga, ML Gothe, LR Borges, GAS Alves, RV Goncalves, J Szanyi, P Vidinha, and LM Rossi. 2021. "Zeolitic-Imidazolate Framework Derived Intermetallic Nickel Zinc Carbide Material as a Selective Catalyst for CO₂ to CO Reduction at High Pressure." Eur. J. Inorg. Chem. 2021(44):4521-4529. DOI: 10.1002/ejic.202100530.

Martin DJ, SI Johnson, BQ Mercado, S Raugei, and JM Mayer. 2020. "Intramolecular Electrostatic Effects on O₂, CO₂, and Acetate Binding to a Cationic Iron Porphyrin." Inorganic Chemistry 59(23):17402-17414. DOI: 10.1021/acs.inorgchem.0c02703.

Mayberry DD, JC Linehan, and AM Appel. 2021. "Designing Catalytic Systems Using Binary Solvent Mixtures: Impact of Mole Fraction of Water on Hydride Transfer." Inorg. Chem. 60(22):17132-17140. DOI: 10.1021/acs.inorgchem.1c02397.

Mitra KLW, CH Chang, MP Hanrahan, JY Yang, D Tofan, WM Holden, N Govind, GT Seidler, AJ Rossini, and A Velian. 2021. "Surface Functionalization of Black Phosphorus with Nitrenes: Identification of P=N Bonds by Using Isotopic Labeling." Angewandte Chemie, Int. Ed. 60(16):9127-9134. DOI: 10.1002/anie.202016033.

Mulder DW, JW Peters, and S Raugei. 2021. "Catalytic bias in oxidation-reduction catalysis." Chemical Communications 57(6):713-720. DOI: 10.1039/d0cc07062a.

Nascimento DR, E Biasin, BI Poulter, M Khalil, D Sokaras, and N Govind. 2021. "Resonant Inelastic X-ray Scattering Calculations of Transition Metal Complexes Within a Simplified Time-Dependent Density Functional Theory Framework." Journal of Chemical Theory and Computation 17(5):3031-3038. DOI: 10.1021/acs.jctc.1c00144.

Nguyen MT, R Rousseau, PD Paviet, and VA Glezakou. 2021. "Actinide Molten Salts: A Machine-Learning Potential Molecular Dynamics Study." ACS Appl. Mater. Interfaces 13(45):53398-53408. DOI: 10.1021/acsami.1c11358.

Pan FP, Z Li, ZZ Yang, Q Ma, MY Wang, H Wang, M Olszta, GZ Wang, ZX Feng, YG Du, and Y Yang. 2021. "Porous FeCo Glassy Alloy as Bifunctional Support for High-Performance Zn-Air Battery." Advanced Energy Materials 11(3). DOI: 10.1002/aenm.202002204.

Patwardhan A, R Sarangi, B Ginovska, S Raugei, and SW Ragsdale. 2021. "Nickel-Sulfonate Mode of Substrate Binding for Forward and Reverse Reactions of Methyl-SCoM Reductase Suggest a Radical Mechanism Involving Long-Range Electron Transfer." The Journal of the American Chemical Society 143(14):5481-5496. DOI: 10.1021/jacs.1c01086.

Peng GW, L Xu, VA Glezakou, and M Mavrikakis. 2021. "Mechanism of methanol synthesis on Ni(110)dagger." Catalysis Science & Technology 11(9):3279-3294. DOI: 10.1039/d1cy00107h.

Pereira-Hernandez XI, A Delariva, V Muravev, D Kunwar, HF Xiong, B Sudduth, M Engelhard, L Kovarik, EJM Hensen, Y Wang, and AK Datye. 2020. "Reply to: "Pitfalls in identifying active catalyst species"." Nature Communications 11(1). DOI: 10.1038/s41467-020-18193-2.

Petrik NG, Y Wang, B Wen, YQ Wu, RZ Ma, A Dahal, F Gao, R Rousseau, Y Wang, GA Kimmel, A Selloni, and Z Dohnalek. 2021. "Conversion of Formic Acid on Single- and Nano-Crystalline Anatase TiO₂(101)." The Journal of Physical Chemistry C 125(14):7686-7700. DOI: 10.1021/acs.jpcc.1c00571.

Pfriem N, PH Hintermeier, S Eckstein, S Kim, Q Liu, H Shi, L Milakovic, Y Liu, GL Haller, E Baráth, Y Liu, and JA Lercher. 2021. "Role of the ionic environment in enhancing the activity of reacting molecules in zeolite pores." Science 372(6545):952-957. DOI: 10.1126/science.abh3418.

• Research highlight: Ionic Environment Enhances the Activity of Reacting Molecules in Specific Zeolites

Pfriem N, Y Liu, F Zahn, H Shi, GL Haller, and JA Lercher. 2021. "Impact of the Local Concentration of Hydronium Ions at Tungstate Surfaces for Acid-Catalyzed Alcohol Dehydration." J. Am. Chem. Soc. 143(48):20133-20143. DOI: 10.1021/jacs.1c07203.

Ramana CV, M Bandi, AN Nair, FS Manciu, S Sreenivasan, and V Shutthanandan. 2021. "Electronic Structure, Chemical Bonding, and Electrocatalytic Activity of Ba(Fe_0.7Ta_0.3)O_3-delta Compounds." ACS Applied Energy Materials 4(2):1313-1322. DOI: 10.1021/acsaem.0c02548.

Saha D, MB Kim, AJ Robinson, R Babarao, and PK Thallapally. 2021. "Elucidating the mechanisms of Paraffin-Olefin separations using nanoporous adsorbents: An overview." Iscience 24(9). DOI: 10.1016/j.isci.2021.103042.

Sanyal U, K Koh, LC Meyer, A Karkamkar, and OY Gutierrez. 2021. "Simultaneous electrocatalytic hydrogenation of aldehydes and phenol over carbon-supported metals." Journal of Applied Electrochemistry 51(1):27-36. DOI: 10.1007/s10800-020-01464-7.

Sanyal U, SF Yuk, K Koh, MS Lee, K Stoerzinger, DF Zhang, LC Meyer, JA Lopez-Ruiz, A Karkamkar, JD Holladay, DM Camaioni, MT Nguyen, VA Glezakou, R Rousseau, OY Gutierrez, and JA Lercher. 2021. "Hydrogen Bonding Enhances the Electrochemical Hydrogenation of Benzaldehyde in the Aqueous Phase." Angew. Chem., Int. Ed. 60(1):290-296. DOI: 10.1002/anie.202008178.

Shetty M, HM Wang, F Chen, N Jaegers, Y Liu, DM Camaioni, OY Gutierrez, and JA Lercher. 2021. "Directing the Rate-Enhancement for Hydronium Ion Catalyzed Dehydration via Organization of Alkanols in Nanoscopic Confinements." Angew. Chem., Int. Ed. 60(5):2304-2311. DOI: 10.1002/anie.202009835.

Sudduth B, DM Yun, JM Sun, and Y Wang. 2021. "Facet-Dependent selectivity of CeO₂ nanoparticles in 2-Propanol conversion." J. Catal. 404:96-108. DOI: 10.1016/j.jcat.2021.09.009.

Tetef S, N Govind, and GT Seidler. 2021. "Unsupervised machine learning for unbiased chemical classification in X-ray absorption spectroscopy and X-ray emission spectroscopy." Phys. Chem. Chem. Phys. 23(41):23586-23601. DOI: 10.1039/d1cp02903g.

Vilbert AC, YW Liu, HG Dai, and Y Lu. 2021. "Recent advances in tuning redox properties of electron transfer centers in metalloenzymes catalyzing the oxygen reduction reaction and H₂ oxidation important for fuel cell design." Current Opinion in Electrochemistry 30. DOI: 10.1016/j.coelec.2021.100780.

Wang AY, Y Chen, ED Walter, NM Washton, T Varga, YL Wang, J Szanyi, Y Wang, CHF Peden, and F Gao. 2021. "Remarkable self-degradation of Cu/SAPO-34 selective catalytic reduction catalysts during storage at ambient conditions." Catalysis Today 360:367-374. DOI: 10.1016/j.cattod.2020.01.034.

Wang HM, PA Meyer, DM Santosa, C Zhu, MV Olarte, SB Jones, and AH Zacher. 2021. "Performance and techno-economic evaluations of co-processing residual heavy fraction in bio-oil hydrotreating." Catalysis Today 365:357-364. DOI: 10.1016/j.cattod.2020.08.035.

Wang JY, JF Liu, X Yu, WX Zhang, GY Zhang, MY Liu, J Shen, CH Yang, and X Jin. 2020. "Non-noble metal catalysts for transfer hydrogenation of levulinic acid: The role of surface morphology and acid-base pairs." Materials Today Energy 18. DOI: 10.1016/j.mtener.2020.100501.

Wang L, P Adiga, JL Zhao, WS Samarakoon, KA Stoerzinger, SR Spurgeon, BE Matthews, ME Bowden, PV Sushko, TC Kaspar, GE Sterbinsky, SM Heald, H Wang, LW Wangoh, JP Wu, EJ Guo, HJ Qian, JO Wang, T Varga, S Thevuthasan, ZX Feng, WL Yang, YG Du, and SA Chambers. 2021. "Understanding the Electronic Structure Evolution of Epitaxial LaNi₁-xFe_xO₃ Thin Films for Water Oxidation." Nano Letters 21(19):8324-8331. DOI: 10.1021/acs.nanolett.1c02901.

Weber RS. 2021. "Comment on Improved CO₂ Hydrogenation on Ni-ZnO/MCM-41 Catalysts with Cooperative Ni and ZnO Sites." Energy Fuels 35(9):8436-8437. DOI: 10.1021/acs.energyfuels.1c00057.

Weber RS. 2021. "Electrocatalysts for Using Renewably-Sourced, Organic Electrolytes for Redox Flow Batteries." Catalysts 11(3). DOI: 10.3390/catal11030315.

Weber RS. 2021. "Lies, damned lies, and turnover rates." J. Catal. 404:925-928. DOI: 10.1016/j.jcat.2021.06.024.

Weber RS. 2021. "The challenges of electrolytic valorization of carbon dioxide." Nature Sustainability 4(10):839-840. DOI: 10.1038/s41893-021-00748-w.

Weindl R, R Khare, L Kovarik, A Jentys, K Reuter, H Shi, and JA Lercher. 2021. "Zeolite-Stabilized Di- and Tetranuclear Molybdenum Sulfide Clusters Form Stable Catalytic Hydrogenation Sites." Angewandte Chemie, Int. Ed. 60(17):9301-9305. DOI: 10.1002/anie.202015769.

• Research highlight: Using Zeolite Scaffolds to Create Better Catalysts

Wildfire C, V Abdelsayed, D Shekhawat, RA Dagle, SD Davidson, and JL Hu. 2021. "Microwave-assisted ammonia synthesis over Ru/MgO catalysts at ambient pressure." Catalysis Today 365:103-110. DOI: 10.1016/j.cattod.2020.06.013.

Wu YQ, F Gao, HM Wang, L Kovarik, B Sudduth, and Y Wang. 2021. "Probing Acid-Base Properties of Anatase TiO₂ Nanoparticles with Dominant {001} and {101} Facets Using Methanol Chemisorption and Surface Reactions." The Journal of Physical Chemistry C 125(7):3988-4000. DOI: 10.1021/acs.jpcc.0c11107.

Xiong HF, D Kunwar, D Jiang, CE Garcia-Vargas, HY Li, CC Du, G Canning, XI Pereira-Hernandez, Q Wan, S Lin, SC Purdy, JT Miller, K Leung, SS Chou, HH Brongersma, R Ter Veen, JY Huang, H Guo, Y Wang, and AK Datye. 2021. "Engineering catalyst supports to stabilize PdO_x two-dimensional rafts for water-tolerant methane oxidation." Nature Catalysis 4(10):830-839. DOI: 10.1038/s41929-021-00680-4.

Xu MZ, JA Lopez-Ruiz, L Kovarik, ME Bowden, SD Davidson, RS Weber, IW Wang, JL Hu, and RA Dagle. 2021. "Structure sensitivity and its effect on methane turnover and carbon co-product selectivity in thermocatalytic decomposition of methane over supported Ni catalysts." Applied Catalysis A 611. DOI: 10.1016/j.apcata.2020.117967.

Xu SC, NR Jaegers, WD Hu, JH Kwak, XH Bao, JM Sun, Y Wang, and JZ Hu. 2021. "High-Field One-Dimensional and Two-Dimensional ²⁷Al Magic-Angle Spinning Nuclear Magnetic Resonance Study of theta-, delta-, and gamma-Al₂O₃ Dominated Aluminum Oxides: Toward Understanding the Al Sites in gamma-Al₂O₃." ACS Omega 6(5):4090-4099. DOI: 10.1021/acsomega.0c06163.

Yang GJ, V Maliekkal, X Chen, S Eckstein, H Shi, DM Camaioni, E Barath, GL Haller, Y Liu, M Neurock, and JA Lercher. 2021. "Rate enhancement of phenol hydrogenation on Pt by hydronium ions in the aqueous phase." J. Catal. 404:579-593. DOI: 10.1016/j.jcat.2021.11.003.

Yao YQ, XQ Wu, B Chen, ZY Tu, OY Gutierrez, Y Cui, J Wang, JC Huang, Y Xu, H Sun, HJ Chen, ZX Yan, DH Mei, YJ Zhao, and JA Lercher. 2021. "Copper-Based Catalysts Confined in Carbon Nanocage Reactors for Condensed Ester Hydrogenation: Tuning Copper Species by Confined SiO₂ and Methanol Resistance." ACS Sustain. Chem. Eng. 9(48):16270-16280. DOI: 10.1021/acssuschemeng.1c05526.

Yeh B, SP Vicchio, S Chheda, J Zheng, J Schmid, L Lobbert, R Bermejo-Deval, OY Gutierez, JA Lercher, CC Lu, M Neurock, RB Getman, L Gagliardi, and A Bhan. 2021. "Site Densities, Rates, and Mechanism of Stable Ni/UiO-66 Ethylene Oligomerization Catalysts." J. Am. Chem. Soc. 143(48):20274-20280. DOI: 10.1021/jacs.1c09320.

Yuk SF, MS Lee, G Collinge, JY Zhang, AB Padmaperuma, ZL Li, F Polo-Garzon, ZL Wu, VA Glezakou, and R Rousseau. 2020. "Mechanistic Understanding of Catalytic Conversion of Ethanol to 1-Butene over 2D-Pillared MFI Zeolite." The Journal of Physical Chemistry C 124(52):28437-28447. DOI: 10.1021/acs.jpcc.0c05585.

Zhang JH, B Sudduth, JM Sun, L Kovarik, MH Engelhard, and Y Wang. 2021. "Elucidating the Active Site and the Role of Alkali Metals in Selective Hydrodeoxygenation of Phenols over Iron-Carbide-based Catalyst." ChemSusChem 14(20):4546-4555. DOI: 10.1002/cssc.202101382.

Zhang JH, B Sudduth, JM Sun, and Y Wang. 2021. "Hydrodeoxygenation of Lignin-Derived Aromatic Oxygenates Over Pd-Fe Bimetallic Catalyst: A Mechanistic Study of Direct C-O Bond Cleavage and Direct Ring Hydrogenation." Catal. Lett. 151(4):932-939. DOI: 10.1007/s10562-020-03352-3.

Zhang RQ, M Athariboroujeny, G Collinge, V Iablokov, KD Shumilov, L Kovarik, AN Alexandrova, N Kruse, and JS McEwen. 2020. "Promoting the Cleavage of C-O Bonds at the Interface between a Metal Oxide Cluster and a Co(0001) Support." ACS Catalysis 10(24):14722-14731. DOI: 10.1021/acscatal.0c03205.

Zhang W, GH Cheng, GL Haller, Y Liu, and JA Lercher. 2020. "Rate Enhancement of Acid-Catalyzed Alcohol Dehydration by Supramolecular Organic Capsules." ACS Catalysis 10(22):13371-13376. DOI: 10.1021/acscatal.0c03625.

Zhang XW, YB Lu, L Kovarik, P Dasari, D Nagaki, and AM Karim. 2021. "Structure sensitivity of n-butane hydrogenolysis on supported Ir catalysts." Journal of Catalysis 394:376-386. DOI: 10.1016/j.jcat.2020.10.028.

Zhang XH, ME Reece, CB Cockreham, H Sun, BD Wang, HW Xu, JM Sun, XF Guo, H Su, Y Wang, and D Wu. 2021. "Formation Energetics and Guest-Host Interactions of Molybdenum Carbide Confined in Zeolite Y." Ind. Eng. Chem. Res. 60(38):13991-14003. DOI: 10.1021/acs.iecr.1c02822.

Zhang XH, AC Strzelecki, CB Cockreham, VG Goncharov, HQ Li, JM Sun, H Sun, XF Guo, HW Xu, H Su, BD Wang, Y Wang, and D Wu. 2021. "Thermodynamics of molybdenum trioxide encapsulated in zeolite Y." AIChE J. 67(12). DOI: 10.1002/aic.17464.

Zhang YN, YQ Wu, Y Peng, JH Li, ED Walter, Y Chen, NM Washton, J Szanyi, Y Wang, and F Gao. 2020. "Quantitative Cu Counting Methodologies for Cu/SSZ-13 Selective Catalytic Reduction Catalysts by Electron Paramagnetic Resonance Spectroscopy." The Journal of Physical Chemistry C 124(51):28061-28073. DOI: 10.1021/acs.jpcc.0c07971.

Zhao P, L Ye, GC Li, C Huang, S Wu, PL Ho, HK Wang, T Yoskamtorn, D Sheptyakov, G Cibin, AI Kirkland, CC Tang, AM Zheng, WJ Xue, DH Mei, K Suriye, and SCE Tsang. 2021. "Rational Design of Synergistic Active Sites for Catalytic Ethene/2-Butene Cross-Metathesis in a Rhenium-Doped Y Zeolite Catalyst." ACS Catalysis 11(6):3530-3540. DOI: 10.1021/acscatal.1c00524.

Zhao XH, QS Chen, DH Zhuo, J Lu, ZN Xu, CM Wang, JX Tang, SG Sun, and GC Guo. 2021. "Oxygen vacancies enriched Bi based catalysts for enhancing electrocatalytic CO₂ reduction to formate." Electrochimica Acta 367. DOI: 10.1016/j.electacta.2020.137478.

Zhu YF, SF Yuk, J Zheng, MT Nguyen, MS Lee, J Szanyi, L Kovarik, ZH Zhu, M Balasubramanian, VA Glezakou, JL Fulton, JA Lercher, R Rousseau, and OY Gutierrez. 2021. "Environment of Metal-O-Fe Bonds Enabling High Activity in CO₂ Reduction on Single Metal Atoms and on Supported Nanoparticles." Journal of the American Chemical Society 143(14):5540-5549. DOI: 10.1021/jacs.1c02276.

• Research highlight: Metal-O-Fe Bonds Enable High Carbon Dioxide Reduction Activity

2020

Andrews EM, JD Egbert, U Sanyal, JD Holladay, and RS Weber. 2020. "Anode-Boosted Electrolysis in Electrochemical Upgrading of Bio-oils and in the Production of H₂." Energy Fuels 34(2):1162-1165. DOI: 10.1021/acs.energyfuels.9b02524.

Artz JH, OA Zadvornyy, DW Mulder, SM Keable, AE Cohen, MW Ratzloff, SG Williams, B Ginovska, N Kumar, JH Song, SE McPhillips, CM Davidson, AY Lyubimov, N Pence, GJ Schut, AK Jones, SM Soltis, MWW Adams, S Raugei, PW King, and JW Peters. 2020. "Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases." Journal of the American Chemical Society 142(3):1227-1235. DOI: 10.1021/jacs.9b08756.

Baer MD and S Raugei. 2020. "Resolving Free-Energy Contributions of Substrate Delivery to Desaturase by Atomistic Simulations." Biophysical Journal 118(3):207A-207A. DOI: 10.1016/j.bpj.2019.11.1241

Bowden ME, B Ginovska, MO Jones, AJ Karkamkar, AJ Ramirez-Cuesta, LL Daemen, GK Schenter, SA Miller, T Repo, K Chernichenko, N Leick, MB Martinez, and T Autrey. 2020. "Heterolytic Scission of Hydrogen Within a Crystalline Frustrated Lewis Pair." Inorg. Chem. 59(20):15295-15301. DOI: 10.1021/acs.inorgchem.0c02290.

Bowers GM, ED Walter, SD Burton, KC Schwarz, DW Hoyt, and RJ Kirkpatrick. 2020. "Probing Pore Size and Connectivity in Porous Silicas Using C-13 MAS NMR Spectroscopy of Supercritical Methane." Journal of Physical Chemistry C 124(21):11536-11543. DOI: 10.1021/acs.jpcc.0c02718.

Braga AH, NJS Costa, K Philippot, RV Goncalves, J Szanyi, and LM Rossi. 2020. "Structure and activity of supported bimetallic NiPd nanoparticles: influence of preparation method on CO₂ reduction." Chemcatchem DOI: 10.1002/cctc.201902329.

Brezny AC, SI Johnson, S Raugei, and JM Mayer. 2020. "Selectivity-Determining Steps in O-2 Reduction Catalyzed by Iron(tetramesitylporphyrin)." Journal of the American Chemical Society 142(9):4108-4113. DOI: 10.1021/jacs.9b13654.

Carvalho OQ, P Adiga, SK Murthy, JL Fulton, OY Gutierrez, and KA Stoerzinger. 2020. "Understanding the Role of Surface Heterogeneities in Electrosynthesis Reactions." iscience 23(12). DOI: 10.1016/j.isci.2020.101814.

Chaudhary N, A Hensley, G Collinge, Y Wang, and JS McEwen. 2020. "Coverage-Dependent Adsorption of Phenol on Pt(111) from First Principles." Journal of Physical Chemistry C 124(1):356-362. DOI: 10.1021/acs.jpcc.9b07517.

Chen GY and RS Weber. 2020. "Second International Symposium on Biomass/Wastes Energy and Environment (BEE 2019), Tianjin, China, May 23-26, 2019." Energy Fuels 34(2):1099-1100. DOI: 10.1021/acs.energyfuels.0c00054.

Cui YR, YL Wang, ED Walter, J Szanyi, Y Wang, and F Gao. 2020. "Influences of Na⁺ co-cation on the structure and performance of Cu/SSZ-13 selective catalytic reduction catalysts." Catalysis Today 339:233-240. DOI: 10.1016/j.cattod.2019.02.037.

Debefve LM, AS Hoffinan, AJ Yeh, RC Runnebaum, S Shulda, RM Richards, I Arslan, and BC Gates. 2020. "Iridium Atoms Bonded to Crystalline Powder MgO: Characterization by Imaging and Spectroscopy." Journal of Physical Chemistry C 124(1):459-468. DOI: 10.1021/acs.jpcc.9b08592.

Deskins NA, GA Kimmel, and NG Petrik. 2020. "Observation of Molecular Hydrogen Produced from Bridging Hydroxyls on Anatase TiO₂`(101)." The Journal of Physical Chemistry Letters 11(21):9289-9297. DOI: 10.1021/acs.jpclett.0c02735.

Donaubauer PJ, DM Melzer, K Wanninger, G Mestl, M Sanchez-Sanchez, JA Lercher, and O Hinrichsen. 2020. "Intrinsic kinetic model for oxidative dehydrogenation of ethane over MoVTeNb mixed metal oxides: A mechanistic approach." Chemical Engineering Journal 383. DOI: 10.1016/j.cej.2019.123195.

Dunn PL, BJ Cook, SI Johnson, AM Appel, and RM Bullock. 2020. "Oxidation of Ammonia with Molecular Complexes." J. Am. Chem. Soc. 142(42):17845-17858. DOI: 10.1021/jacs.0c08269.

Dunn PL, SI Johnson, W Kaminsky, and RM Bullock. 2020. "Diversion of Catalytic C-N Bond Formation to Catalytic Oxidation of NH₃ through Modification of the Hydrogen Atom Abstractor." Journal of the American Chemical Society 142(7):3361-3365. DOI: 10.1021/jacs.9b13706.

Gallo A, JL Snider, D Sokaras, D Nordlund, T Kroll, H Ogasawara, L Kovarik, MS Duyar, and TF Jaramillo. 2020. "Ni5Ga3 catalysts for CO₂ reduction to methanol: Exploring the role of Ga surface oxidation/reduction on catalytic activity." Applied Catalysis B 267. DOI: 10.1016/j.apcatb.2019.118369.

Gao F. 2020. "Fe-Exchanged Small-Pore Zeolites as Ammonia Selective Catalytic Reduction (NH3-SCR) Catalysts." Catalysts 10(11). DOI: 10.3390/catal10111324.

Gomez MA, RN Jiang, M Song, DS Li, AS Lea, X Ma, HB Wang, XL Yin, SF Wang, and YF Jia. 2020. "Further insights into the Fe(II) reduction of 2-line ferrihydrite: a semi in situ and in situ TEM study." Nanoscale Advances 2(10):4938-4950. DOI: 10.1039/d0na00643b.

Grubel K, H Jeong, CW Yoon, and T Autrey. 2020. "Challenges and opportunities for using formate to store, transport, and use hydrogen." Journal of Energy Chemistry 41:216-224. DOI: 10.1016/j.jechem.2019.05.016.

Hensley AJR, I deJoode, Y Wang, and JS McEwen. 2020. "Identifying Trends in the Field Ionization of Diatomic Molecules over Adsorbate Covered Pd(331) Surfaces." Top. Catal. 63(15-18):1510-1521. DOI: 10.1007/s11244-020-01392-y.

Heredia-Langner A, JR Cort, K Grubel, MJ O'Hagan, KH Jarman, JC Linehan, KO Albrecht, E Polikarpov, DL King, TD Smurthwaite, and JT Bays. 2020. "Methodology for the Development of Empirical Models Relating C-13 NMR Spectral Features to Fuel Properties." Energy Fuels 34(10):12556-12572. DOI: 10.1021/acs.energyfuels.0c00883.

Hewitt MA, H Hernandez, and GE Johnson. 2020. "Light Exposure Promotes Degradation of Intermediates and Growth of Phosphine-Ligated Gold Clusters." Journal of Physical Chemistry C 124(5):3396-3402. DOI: 10.1021/acs.jpcc.9b10920.

Holladay JE, JL Male, R Rousseau, and RS Weber. 2020. "Synthesizing Clean Transportation Fuels from CO₂ Will at Least Quintuple the Demand for Non-carbogenic Electricity in the United States." Energy Fuels 34(12):15433-15442. DOI: 10.1021/acs.energyfuels.0c02595.

Iablokov V, SA Alekseev, S Gryn, I Bezverkhyy, V Zaitsev, L Kovarik, TV de Bocarme, and N Kruse. 2020. "Superior Fischer-Tropsch performance of uniform cobalt nanoparticles deposited into mesoporous SiC." Journal of Catalysis 383:297-303. DOI: 10.1016/j.jcat.2020.01.028.

Jaegers NR, WD Hu, Y Wang, and JZ Hu. 2020. "High-Temperature and High-Pressure In situ Magic Angle Spinning Nuclear Magnetic Resonance Spectroscopy." Jove-Journal of Visualized Experiments (164). DOI: 10.3791/61794.

Jiang D, K Khivantsev, and Y Wang. 2020. "Low-Temperature Methane Oxidation for Efficient Emission Control in Natural Gas Vehicles: Pd and Beyond." ACS Catalysis 10(23):14304-14314. DOI: 10.1021/acscatal.0c03338.

Khivantsev K, NR Jaegers, IZ Koleva, HA Aleksandrov, L Kovarik, M Engelhard, F Gao, Y Wang, GN Vayssilov, and J Szanyi. 2020. "Stabilization of Super Electrophilic Pd⁺² Cations in Small-Pore SSZ-13 Zeolite." Journal of Physical Chemistry C 124(1):309-321. DOI: 10.1021/acs.jpcc.9b06760.

Koh K, U Sanyal, MS Lee, GH Cheng, M Song, VA Glezakou, Y Liu, DS Li, R Rousseau, OY Gutierrez, A Karkamkar, M Derewinski, and JA Lercher. 2020. "Electrochemically Tunable Proton-Coupled Electron Transfer in Pd-Catalyzed Benzaldehyde Hydrogenation." Angewandte Chemie-International Edition 59(4):1501-1505. DOI: 10.1002/anie.201912241.

Kothandaraman J and DJ Heldebrant. 2020. "Catalytic coproduction of methanol and glycol in one pot from epoxide, CO₂, and H₂." Rsc Advances 10(69):42557-42563. DOI: 10.1039/d0ra09459e.

Lambeets SV, EJ Kautz, MG Wirth, GJ Orren, A Devaraj, and DE Perea. 2020. "Nanoscale Perspectives of Metal Degradation via In Situ Atom Probe Tomography." Top. Catal. 63(15-18):1606-1622. DOI: 10.1007/s11244-020-01367-z.

Li HQ, JM Sun, GN Li, D Wu, and Y Wang. 2020. "Real-time monitoring of surface acetone enolization and aldolization." Catalysis Science & Technology 10(4):935-939. DOI: 10.1039/c9cy02339a.

Lu YB, ZH Zhang, F Lin, HM Wang, and Y Wang. 2020. "Single-atom Automobile Exhaust Catalysts." Chemnanomat 6(12):1659-1682. DOI: 10.1002/cnma.202000407.

Lukoyanov DA, ZY Yang, DR Dean, LC Seefeldt, S Raugei, and BM Hoffman. 2020. "Electron Redistribution within the Nitrogenase Active Site FeMo-Cofactor During Reductive Elimination of H-2 to Achieve N equivalent to N Triple-Bond Activation." Journal of the American Chemical Society 142(52):21679-21690. DOI: 10.1021/jacs.0c07914.

• Research highlight: Characterizing Electron Redistribution in a Key Nitrogenase Catalytic Intermediate

Luo LL, SY Chen, Q Xu, Y He, ZJ Dong, LF Zhang, JF Zhu, YG Du, B Yang, and CM Wang. 2020. "Dynamic Atom Clusters on AuCu Nanoparticle Surface during CO Oxidation." Journal of the American Chemical Society 142(8):4022-4027. DOI: 10.1021/jacs.9b13901.

Luo LL, Y Nian, SB Wang, ZJ Dong, Y He, Y Han, and CM Wang. 2020. "Real-Time Atomic-Scale Visualization of Reversible Copper Surface Activation during the CO Oxidation Reaction." Angewandte Chemie-International Edition 59(6):2505-2509. DOI: 10.1002/anie.201915024.

Mallesham B, S Roy, S Bose, AN Nair, S Sreenivasan, V Shutthanandan, and CV Ramana. 2020. "Crystal Chemistry, Band-Gap Red Shift, and Electrocatalytic Activity of Iron-Doped Gallium Oxide Ceramics." Acs Omega 5(1):104-112. DOI: 10.1021/acsomega.9b01604.

Marcinkowski MD, KC Adamsen, N Doudin, MA Sharp, RS Smith, Y Wang, S Wendt, JV Lauritsen, GS Parkinson, BD Kay, and Z Dohnalek. 2020. "Adsorption and reaction of methanol on Fe₃O₄(001)." Journal of Chemical Physics 152(6). DOI: 10.1063/1.5139418.

Martin DJ, SI Johnson, BQ Mercado, S Raugei, and JM Mayer. 2020. "Intramolecular Electrostatic Effects on O₂, CO₂, and Acetate Binding to a Cationic Iron Porphyrin." Inorganic Chemistry 59(23):17402-17414. DOI: 10.1021/acs.inorgchem.0c02703.

Materna KL, N Lalaoui, JA Laureanti, AP Walsh, BP Rimgard, R Lomoth, A Thapper, S Ott, WJ Shaw, H Tian, and L Hammarstrom. 2020. "Using Surface Amide Couplings to Assemble Photocathodes for Solar Fuel Production Applications." ACS Applied Materials & Interfaces 12(4):4501-4509. DOI: 10.1021/acsami.9b19003.

Melzer D, G Mestl, K Wanninger, A Jentys, M Sanchez-Sanchez, and JA Lercher. 2020. "On the Promoting Effects of Te and Nb in the Activity and Selectivity of M1 MoV-Oxides for Ethane Oxidative Dehydrogenation." Top. Catal. 63(19-20):1754-1764. DOI: 10.1007/s11244-020-01304-0.

Meyer PA, LJ Snowden-Swan, SB Jones, KG Rappe, and DS Hartley. 2020. "The effect of feedstock composition on fast pyrolysis and upgrading to transportation fuels: Techno-economic analysis and greenhouse gas life cycle analysis." Fuel 259. DOI: 10.1016/j.fuel.2019.116218.

Peng B, KG Rappe, YR Cui, F Gao, J Szanyi, MJ Olszta, ED Walter, Y Wang, JD Holladay, and RA Goffee. 2020. "Enhancement of high-temperature selectivity on Cu-SSZ-13 towards NH₃-SCR reaction from highly dispersed ZrO₂." Applied Catalysis B 263. DOI: 10.1016/j.apcatb.2019.118359.

Pereira-Hernandez XI, A Delariva, V Muravev, D Kunwar, HF Xiong, B Sudduth, M Engelhard, L Kovarik, EJM Hensen, Y Wang, and AK Datye. 2020. "Reply to: "Pitfalls in identifying active catalyst species"." Nature Communications 11(1). DOI: 10.1038/s41467-020-18193-2.

Singh N, U Sanyal, G Ruehl, KA Stoerzinger, OY Gutierrez, DM Camaioni, JL Fulton, JA Lercher, and CT Campbell. 2020. "Aqueous phase catalytic and electrocatalytic hydrogenation of phenol and benzaldehyde over platinum group metals." Journal of Catalysis 382:372-384. DOI: 10.1016/j.jcat.2019.12.034.

Tran BL, BD Neisen, AL Speelman, T Gunasekara, ES Wiedner, and RM Bullock. 2020. "Mechanistic Studies on the Insertion of Carbonyl Substrates into Cu-H: Different Rate-Limiting Steps as a Function of Electrophilicity." Angewandte Chemie-International Edition DOI: 10.1002/anie.201916406.

Tylinski M, RS Smith, and BD Kay. 2020. "Structure and Desorption Kinetics of Acetonitrile Thin Films on Pt(111) and on Graphene on Pt(111)." Journal of Physical Chemistry C 124(4):2521-2530. DOI: 10.1021/acs.jpcc.9b10579.

Vollmer MV, JY Ye, JC Linehan, BJ Graziano, A Preston, ES Wiedner, and CC Lu. 2020. "Cobalt-Group 13 Complexes Catalyze CO₂ Hydrogenation via a Co(-I)/Co(I) Redox Cycle." ACS Catalysis 10(4):2459-2470. DOI: 10.1021/acscatal.9b03534.

Wang JY, JF Liu, X Yu, WX Zhang, GY Zhang, MY Liu, J Shen, CH Yang, and X Jin. 2020. "Non-noble metal catalysts for transfer hydrogenation of levulinic acid: The role of surface morphology and acid-base pairs." Materials Today Energy 18. DOI: 10.1016/j.mtener.2020.100501.

Wang M, YT Zhao, DH Mei, RM Bullock, OY Gutierrez, DM Camaioni, and JA Lercher. 2020. "The Critical Role of Reductive Steps in the Nickel-Catalyzed Hydrogenolysis and Hydrolysis of Aryl Ether C-O Bonds." Angewandte Chemie-International Edition 59(4):1445-1449. DOI: 10.1002/anie.201909551.

Wang M, YT Zhao, DH Mei, RM Bullock, OY Gutierrez, DM Camaioni, and JA Lercher. 2020. "The Critical Role of Reductive Steps in the Nickel-Catalyzed Hydrogenolysis and Hydrolysis of Aryl Ether C-O Bonds." Angewandte Chemie-International Edition 59(4):1445-1449. DOI: 10.1002/anie.201909551.

Wang XL, N Liu, QW Zhang, X Liang, BH Chen, and DH Mei. 2020. "Thermodynamic and kinetic roles of H-2 in structure evolution of urchin-like Co: A density functional theory study." Particuology 48:2-12. DOI: 10.1016/j.partic.2018.08.007.

Weber-Stockbauer M, M Baumgartl, OY Gutierrez, R Bermejo-Deval, and JA Lercher. 2020 "Magnesium—Aluminum Mixed Oxides as Basic Catalysts for the Synthesis of Methanethiol." Catalysis Letters DOI: 10.1007/s10562-020-03128-9.

Wu XY, JH Jiang, CM Wang, J Liu, YQ Pu, A Ragauskas, SM Li, and B Yang. 2020. "Lignin-derived electrochemical energy materials and systems." Biofuels Bioproducts & Biorefining-Biofpr DOI: 10.1002/bbb.2083.

Xie XH, C He, BY Li, YH He, DA Cullen, EC Wegener, AJ Kropf, U Martinez, YW Cheng, MH Engelhard, ME Bowden, M Song, T Lemmon, XS Li, ZM Nie, J Liu, DJ Myers, P Zelenay, GF Wang, G Wu, V Ramani, and YY Shao. 2020. "Performance enhancement and degradation mechanism identification of a single-atom Co-N-C catalyst for proton exchange membrane fuel cells." Nature Catalysis 3(12):1044-1054. DOI: 10.1038/s41929-020-00546-1.

Yao YQ, XQ Wu, OY Gutierrez, J Ji, P Jin, SN Wang, Y Xu, YJ Zhao, SP Wang, XB Ma, and JA Lercher. 2020. "Roles of Cu⁺ and Cu⁰ sites in liquid-phase hydrogenation of esters on core-shell CuZn_x@C catalysts." Applied Catalysis B 267. DOI: 10.1016/j.apcatb.2020.118698.

Yao YQ, XQ Wu, OY Gutierrez, J Ji, P Jin, SN Wang, Y Xu, YJ Zhao, SP Wang, XB Ma, and JA Lercher. 2020. "Roles of Cu+ and Cu-0 sites in liquid-phase hydrogenation of esters on core-shell CuZnx@C catalysts (vol 267, 118698, 2020)." Appl. Catal. B 276. DOI: 10.1016/j.apcatb.2020.119233.

Yesibolati MN, S Lagana, HY Sun, M Beleggia, SM Kathmann, T Kasama, and K Molhave. 2020. "Mean Inner Potential of Liquid Water." Physical Review Letters 124(6). DOI: 10.1103/PhysRevLett.124.065502.

Yuk SF, MS Lee, G Collinge, JY Zhang, AB Padmaperuma, ZL Li, F Polo-Garzon, ZL Wu, VA Glezakou, and R Rousseau. 2020. "Mechanistic Understanding of Catalytic Conversion of Ethanol to 1-Butene over 2D-Pillared MFI Zeolite." Journal of Physical Chemistry C 124(52):28437-28447. DOI: 10.1021/acs.jpcc.0c05585.

Zhang JH, JM Sun, and Y Wang. 2020. "Recent advances in the selective catalytic hydrodeoxygenation of lignin-derived oxygenates to arenes." Green Chemistry 22(4):1072-1098. DOI: 10.1039/c9gc02762a.

Zhang JH, JM Sun, B Sudduth, XP Hernandez, and Y Wang. 2020. "Liquid-phase hydrodeoxygenation of lignin-derived phenolics on Pd/Fe: A mechanistic study." Catalysis Today 339:305-311. DOI: 10.1016/j.cattod.2018.12.027.

Zhang RQ, M Athariboroujeny, G Collinge, V Iablokov, KD Shumilov, L Kovarik, AN Alexandrova, N Kruse, and JS McEwen. 2020. "Promoting the Cleavage of C-O Bonds at the Interface between a Metal Oxide Cluster and a Co(0001) Support." ACS Catalysis 10(24):14722-14731. DOI: 10.1021/acscatal.0c03205.

Zhang W, GH Cheng, GL Haller, Y Liu, and JA Lercher. 2020. "Rate Enhancement of Acid-Catalyzed Alcohol Dehydration by Supramolecular Organic Capsules." ACS Catalysis 10(22):13371-13376. DOI: 10.1021/acscatal.0c03625.

Zhang YN, YQ Wu, Y Peng, JH Li, ED Walter, Y Chen, NM Washton, J Szanyi, Y Wang, and F Gao. 2020. "Quantitative Cu Counting Methodologies for Cu/SSZ-13 Selective Catalytic Reduction Catalysts by Electron Paramagnetic Resonance Spectroscopy." Journal of Physical Chemistry C 124(51):28061-28073. DOI: 10.1021/acs.jpcc.0c07971.

Zhao YT, XL Zhu, H Wang, JY Han, DH Mei, and Q Ge. 2020. "Aqueous Phase Aldol Condensation of Formaldehyde and Acetone on Anatase TiO₂(101) Surface: A Theoretical Investigation." Chemcatchem 12(4):1220-1229. DOI: 10.1002/cctc.201901736.

Zhu YF, J Zheng, JY Ye, YR Cui, K Koh, L Kovarik, DM Camaioni, JL Fulton, DG Truhlar, M Neurock, CJ Cramer, OY Gutierrez, and JA Lercher. 2020. "Copper-zirconia interfaces in UiO-66 enable selective catalytic hydrogenation of CO₂ to methanol." Nat. Commun. 11(1). DOI: 10.1038/s41467-020-19438-w.

2019

Albersberger S, H Shi, M Wagenhofer, JY Han, OY Gutierrez, and JA Lercher. 2019. "On the enhanced catalytic activity of acid-treated, trimetallic Ni-Mo-W sulfides for quinoline hydrodenitrogenation." Journal of Catalysis 380:332-342. DOI: 10.1016/j.jcat.2019.09.034.

Athariboroujeny M, A Raub, V Iablokov, S Chenakin, L Kovarik, and N Kruse. 2019. "Competing Mechanisms in CO Hydrogenation over Co-MnO_x Catalysts." Acs Catalysis 9(6):5603-5612. DOI: 10.1021/acscatal.9b00967.

Bharadwaj VS, MB Pecha, LT Bu, VL Dagle, RA Dagle, and PN Ciesielski. 2019. "Multi-scale simulation of reaction, transport and deactivation in a SBA-16 supported catalyst for the conversion of ethanol to butadiene." Catalysis Today 338:141-151. DOI: 10.1016/j.cattod.2019.05.042.

Bhattacharya P, ZM Heiden, GM Chambers, SI Johnson, RM Bullock, and MT Mock. 2019. "Catalytic Ammonia Oxidation to Dinitrogen by Hydrogen Atom Abstraction." Angewandte Chemie-International Edition 58(34):11618-11624. DOI: 10.1002/anie.201903221.

Braun MK, J Lorenzen, M Masri, Y Liu, E Barath, T Bruck, and JA Lercher. 2019. "Catalytic Decomposition of the Oleaginous Yeast Cutaneotrichosporon Oleaginosus and Subsequent Biocatalytic Conversion of Liberated Free Fatty Acids." Acs Sustainable Chemistry & Engineering 7(7):6531-6540. DOI: 10.1021/acssuschemeng.8b04795.

Cabral RP, DJ Heldebrant, and N Mac Dowell. 2019. "A Techno-Economic Analysis of a Novel Solvent-Based Oxycombustion CO₂ Capture Process." Industrial & Engineering Chemistry Research 58(16):6604-6612. DOI: 10.1021/acs.iecr.9b00305.

Cammarota RC, J Xie, SA Burgess, MV Vollmer, KD Vogiatzis, JY Ye, JC Linehan, AM Appel, C Hoffmann, XP Wang, VG Young, and CC Lu. 2019. "Thermodynamic and kinetic studies of H₂ and N₂ binding to bimetallic nickel-group 13 complexes and neutron structure of a Ni(η²-H₂) adduct." Chemical Science 10(29):7029-7042. DOI: 10.1039/c9sc02018g.

Chamas A, L Qi, HS Mehta, JA Sears, SL Scott, ED Walter, and DW Hoyt. 2019. "High temperature/pressure MAS-NMR for the study of dynamic processes in mixed phase systems." Magnetic Resonance Imaging 56:37-44. DOI: 10.1016/j.mri.2018.09.026.

Chambers GM, SI Johnson, S Raugei, and RM Bullock. 2019. "Anion control of tautomeric equilibria: Fe-H vs. N-H influenced by NH...F hydrogen bonding." Chemical Science 10(5):1410-1418. DOI: 10.1039/c8sc04239j.

Chen HY, M Kollar, ZH Wei, F Gao, YL Wang, J Szanyi, and CHF Peden. 2019. "Formation of NO+ and its possible roles during the selective catalytic reduction of NOx with NH3 on Cu-CHA catalysts." Catalysis Today 320:61-71. DOI: 10.1016/j.cattod.2017.12.022.

Chen L, SJ Zhang, RR Persaud, RS Smith, BD Kay, D Dixon, and Z Dohnalek. 2019. "Understanding the Binding of Aromatic Hydrocarbons on Rutile TiO₂(110)." Journal of Physical Chemistry C 123(27):16766-16777. DOI: 10.1021/acs.jpcc.9b03355.

Collett JR, JM Billing, PA Meyer, AJ Schmidt, AB Remington, ER Hawley, BA Hofstad, EA Panisko, ZY Dai, TR Hart, DM Santosa, JK Magnuson, RT Hallen, and SB Jones. 2019. "Renewable diesel via hydrothermal liquefaction of oleaginous yeast and residual lignin from bioconversion of corn stover." Applied Energy 233:840-853. DOI: 10.1016/j.apenergy.2018.09.115.

Cook BJ, SI Johnson, GM Chambers, W Kaminsky, and RM Bullock. 2019. "Triple hydrogen atom abstraction from Mn-NH₃ complexes results in cyclophosphazenium cations." Chemical Communications 55(93):14058-14061. DOI: 10.1039/c9cc06915a.

Cook BJ, SI Johnson, GM Chambers, W Kaminsky, and RM Bullock. 2019. "Triple hydrogen atom abstraction from Mn-NH3 complexes results in cyclophosphazenium cations." Chemical Communications 55(93):14058-14061. DOI: 10.1039/c9cc06915a.

Cui YR, YL Wang, DH Mei, ED Walter, NM Washton, JD Holladay, Y Wang, J Szanyi, CHF Peden, and F Gao. 2019. "Revisiting effects of alkali metal and alkaline earth co-cation additives to Cu/SSZ-13 selective catalytic reduction catalysts." Journal of Catalysis 378:363-375. DOI: 10.1016/j.jcat.2019.08.028.

Dagle VL, RA Dagle, L Kovarik, F Baddour, SE Habas, and R Elander. 2019. "Single-step Conversion of Methyl Ethyl Ketone to Olefins over Zn_xZr_yO_z Catalysts in Water." Chemcatchem 11(15):3393-3400. DOI: 10.1002/cctc.201900292.

Dahal A, NG Petrik, YQ Wu, GA Kimmel, F Gao, Y Wang, and Z Dohnalek. 2019. "Adsorption and Reaction of Methanol on Anatase TiO₂(101) Single Crystals and Faceted Nanoparticles." Journal of Physical Chemistry C 123(39):24133-24145. DOI: 10.1021/acs.jpcc.9b07080.

Davidson SD, JA Lopez-Ruiz, M Flake, AR Cooper, Y Elkasabi, MT Morgano, VL Dagle, KO Albrecht, and RA Dagle. 2019. "Cleanup and Conversion of Biomass Liquefaction Aqueous Phase to C₃-C₅ Olefins over Zn_xZr_yO_z Catalyst." Catalysts 9(11). DOI: 10.3390/catal9110923

Davidson SD, JA Lopez-Ruiz, YH Zhu, AR Cooper, KO Albrecht, and RA Dagle. 2019. "Strategies To Valorize the Hydrothermal Liquefaction-Derived Aqueous Phase into Fuels and Chemicals." ACS Sustainable Chemistry & Engineering 7(24):19889-19901. DOI: 10.1021/acssuschemeng.9b05308.

Denk C, S Foraita, L Kovarik, K Stoerzinger, Y Liu, E Barath, and JA Lercher. 2019. "Rate enhancement by Cu in Ni_xCu_1-x/ZrO₂ bimetallic catalysts for hydrodeoxygenation of stearic acid." Catalysis Science & Technology 9(10):2620-2629. DOI: 10.1039/c9cy00181f.

Doudin N, SF Yuk, MD Marcinkowski, MT Nguyen, JC Liu, Y Wang, Z Novotny, BD Kay, J Li, VA Glezakou, G Parkinson, R Rousseau, and Z Dohnalek. 2019. "Understanding Heterolytic H-2 Cleavage and Water-Assisted Hydrogen Spillover on Fe₃O₄(001)-Supported Single Palladium Atoms." Acs Catalysis 9(9):7876-7887. DOI: 10.1021/acscatal.9b01425.

Dutta A and WJ Shaw. 2019. "Chemical Method for Evaluating Catalytic Turnover Frequencies (TOF) of Moderate to Slow H₂ Oxidation Electrocatalysts." Organometallics 38(6):1311-1316. DOI: 10.1021/acs.organomet.8b00580.

Eckstein S, PH Hintermeier, RX Zhao, E Barath, H Shi, Y Liu, and JA Lercher. 2019. "Influence of Hydronium Ions in Zeolites on Sorption." Angewandte Chemie-International Edition 58(11):3450-3455. DOI: 10.1002/anie.201812184.

Ehrmaier A, S Peitz, M Sanchez-Sanchez, R Bermejo-Deval, and J Lercher. 2019. "On the role of co-cations in nickel exchanged LTA zeolite for butene dimerization." Microporous and Mesoporous Materials 284:241-246. DOI: 10.1016/j.micromeso.2019.03.047.

Ehrmaier A, Y Liu, S Peitz, A Jentys, YHC Chin, M Sanchez-Sanchez, R Bermejo-Deval, and J Lercher. 2019. "Dimerization of Linear Butenes on Zeolite-Supported Ni²⁺." Acs Catalysis 9(1):315-324. DOI: 10.1021/acscatal.8b03095.

Falbo L, CG Visconti, L Lietti, and J Szanyi. 2019. "The effect of CO on CO₂ methanation over Ru/Al₂O₃ catalysts: a combined steady-state reactivity and transient DRIFT spectroscopy study." Applied Catalysis B-Environmental 256. DOI: 10.1016/j.apcatb.2019.117791.

Forrest KA, T Pham, SK Elsaidi, MH Mohamed, PK Thallapally, MJ Zaworotko, and B Space. 2019. "Investigating CO₂ Sorption in SIFSIX-3-M (M = Fe, Co, Ni, Cu, Zn) through Computational Studies." Crystal Growth & Design 19(7):3732-3743. DOI: 10.1021/acs.cgd.9b00086.

Fourmond V, ES Wiedner, WJ Shaw, and C Leger. 2019. "Understanding and Design of Bidirectional and Reversible Catalysts of Multielectron, Multistep Reactions." Journal of the American Chemical Society 141(28):11269-11285. DOI: 10.1021/jacs.9b04854.

Gaspar DJ, SD Phillips, E Polikarpov, KO Albrecht, SB Jones, A George, A Landera, DM Santosa, DT Howe, AG Baldwin, and JT Bays. 2019. "Measuring and predicting the vapor pressure of gasoline containing oxygenates." Fuel 243:630-644. DOI: 10.1016/j.Fuel.2019.01.137.

Gentil S, JK Molloy, M Carriere, A Hobballah, A Dutta, S Cosnier, WJ Shaw, G Gellon, C Belle, V Artero, F Thomas, and A Le Goff. 2019. "A Nanotube-Supported Dicopper Complex Enhances Pt-free Molecular H₂/Air Fuel Cells." Joule 3(8):2020-2029. DOI: 10.1016/j.Joule.2019.07.001.

Ghosh S, JC Asher, L Gagliardi, CJ Cramer, and N Govind. 2019. "A semiempirical effective Hamiltonian based approach for analyzing excited state wave functions and computing excited state absorption spectra using real-time dynamics." Journal of Chemical Physics 150(10). DOI: 10.1063/1.5061746.

Grubel K, W Chouyyok, DJ Heldebrant, JC Linehan, and JT Bays. 2019. "Octane-On-Demand: Onboard Separation of Oxygenates from Gasoline." Energy & Fuels 33(3):1869-1881. DOI: 10.1021/acs.energyFuels.8b03781.

Han J, MS Lee, PK Thallapally, M Kim, and N Jeong. 2019. "Identification of Reaction Sites on Metal-Organic Framework-Based Asymmetric Catalysts for Carbonyl-Ene Reactions." Acs Catalysis 9(5):3969-3977. DOI: 10.1021/acscatal.8b04827.

Han Q, MU Rehman, JH Wang, A Rykov, OY Gutierrez, YJ Zhao, SP Wang, XB Ma, and JA Lercher. 2019. "The synergistic effect between Ni sites and Ni-Fe alloy sites on hydrodeoxygenation of lignin-derived phenols." Applied Catalysis B-Environmental 253:348-358. DOI: 10.1016/j.apcatb.2019.04.065.

Han Y, K Liu, MA Sinnwell, LL Liu, HL Huang, and PK Thallapally. 2019. "Direct Observation of Li⁺ Ions Trapped in a Mg²⁺-Templated Metal-Organic Framework." Inorganic Chemistry 58(14):8922-8926. DOI: 10.1021/acs.inorgchem.9b01207.

Han Y, MA Sinnwell, SJ Teat, ML Sushko, ME Bowden, QRS Miller, HT Schaef, LL Liu, ZM Nie, J Liu, and PK Thallapally. 2019. "Desulfurization Efficiency Preserved in a Heterometallic MOF: Synthesis and Thermodynamically Controlled Phase Transition." Advanced Science 6(7). DOI: 10.1002/advs.201802056.

Han YL, M Gholizadeh, CC Tran, S Kaliaguine, CZ Li, M Olarte, and M Garcia-Perez. 2019. "Hydrotreatment of pyrolysis bio-oil: A review." Fuel Processing Technology 195. DOI: 10.1016/j.fuproc.2019.106140.

Hensley AJR, Y Wang, and JS McEwen. 2019. "The partial reduction of clean and doped α-Fe₂O₃(0001) from first principles." Applied Catalysis a-General 582. DOI: 10.1016/j.apcata.2019.02.019.

Hirscher M, T Autrey, and SI Orimo. 2019. "Hydrogen Energy." Chemphyschem 20(10):1157-1157. DOI: 10.1002/cphc.201900429.

Hoeke V, L Tociu, DA Case, LC Seefeldt, S Raugei, and BM Hoffman. 2019. "High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E₄(4H)." Journal of the American Chemical Society 141(30):11984-11996. DOI: 10.1021/jacs.9b04474.

• Research Highlight: Setting the Stage for Fuel-Efficient Fertilizer

Hong W, M Kitta, N Tsumori, Y Himeda, T Autrey, and Q Xu. 2019. "Immobilization of highly active bimetallic PdAu nanoparticles onto nanocarbons for dehydrogenation of formic acid." Journal of Materials Chemistry A 7(32):18835-18839. DOI: 10.1039/c9ta06014f.

Hou XX, K Zhao, OA Marina, MG Norton, and S Ha. 2019. "NiMo-ceria-zirconia-based anode for solid oxide Fuel cells operating on gasoline surrogate." Applied Catalysis B-Environmental 242:31-39. DOI: 10.1016/j.apcatb.2018.09.095.

Howe D, M Garcia-Perez, D Taasevigen, J Rainbolt, K Albrecht, H Li, LQ Wei, A McDonald, and M Wolcott. 2019. "Thermal pretreatment of a high lignin SSF digester residue to increase its softening point." Journal of Analytical and Applied Pyrolysis 142. DOI: 10.1016/j.jaap.2016.03.012.

Ikuno T, S Grundner, A Jentys, GN Li, E Pidko, J Fulton, M Sanchez-Sanchez, and JA Lercher. 2019. "Formation of Active Cu-oxo Clusters for Methane Oxidation in Cu-Exchanged Mordenite." Journal of Physical Chemistry C 123(14):8759-8769. DOI: 10.1021/acs.jpcc.8b10293.

Jaegers NR, JK Lai, Y He, E Walter, DA Dixon, M Vasiliu, Y Chen, CM Wang, MY Hu, KT Mueller, IE Wachs, Y Wang, and JZ Hu. 2019. "Mechanism by which Tungsten Oxide Promotes the Activity of Supported V₂O5/TiO₂ Catalysts for NO_X Abatement: Structural Effects Revealed by ⁵¹V MAS NMR Spectroscopy." Angewandte Chemie-International Edition 58(36):12609-12616. DOI: 10.1002/anie.201904503.

• Research Highlight: Getting Clear about Clean Air

Jaegers NR, K Khivantsev, L Kovarik, DW Klas, JZ Hu, Y Wang, and J Szanyi. 2019. "Catalytic activation of ethylene C-H bonds on uniform d⁸ Ir(I) and Ni(II) cations in zeolites: toward molecular level understanding of ethylene polymerization on heterogeneous catalysts." Catalysis Science & Technology 9(23):6570-6576. DOI: 10.1039/c9cy01442j.

Jiang Y, SB Jones, YH Zhu, L Snowden-Swan, AJ Schmidt, JM Billing, and D Anderson. 2019. "Techno-economic uncertainty quantification of algal-derived biocrude via hydrothermal liquefaction." Algal Research-Biomass BioFuels and Bioproducts 39. DOI: 10.1016/j.algal.2019.101450.

Johnson SI, SP Heins, CM Klug, ES Wiedner, RM Bullock, and S Raugei. 2019. "Design and reactivity of pentapyridyl metal complexes for ammonia oxidation." Chemical Communications 55(35):5083-5086. DOI: 10.1039/c9cc01249d.

Khivantsev K, NR Jaegers, L Kovarik, S Prodinger, MA Derewinski, Y Wang, F Gao, and J Szanyi. 2019. "Palladium/Beta zeolite passive NOx adsorbers (PNA): Clarification of PNA chemistry and the effects of CO and zeolite crystallite size on PNA performance." Applied Catalysis a-General 569:141-148. DOI: 10.1016/j.apcata.2018.10.021.

Klug CM, WG Dougherty, WS Kassel, and ES Wiedner. 2019. "Electrocatalytic Hydrogen Production by a Nickel Complex Containing a Tetradentate Phosphine Ligand." Organometallics 38(6):1269-1279. DOI: 10.1021/acs.organomet.8b00548.

Kollias L, DC Cantu, MA Tubbs, R Rousseau, VA Glezakou, and M Salvalaglio. 2019. "Molecular Level Understanding of the Free Energy Landscape in Early Stages of Metal-Organic Framework Nucleation." Journal of the American Chemical Society 141(14):6073-6081. DOI: 10.1021/jacs.9b01829.

Kothandaraman J, J Zhang, VA Glezakou, MT Mock, and DJ Heldebrant. 2019. "Chemical transformations of captured CO₂ into cyclic and polymeric carbonates." Journal of CO₂ Utilization 32:196-201. DOI: 10.1016/j.jcou.2019.04.020.

Kovarik L, M Bowden, DC Shi, J Szanyi, and CHF Peden. 2019. "Structural Intergrowth in δ-Al₂O₃." Journal of Physical Chemistry C 123(14):9454-9460. DOI: 10.1021/acs.jpcc.8b10135.

Kumar N, JM Darmon, CJ Weiss, ML Helm, S Raugei, and RM Bullock. 2019. "Outer Coordination Sphere Proton Relay Base and Proximity Effects on Hydrogen Oxidation with Iron Electrocatalysts." Organometallics 38(6):1391-1396. DOI: 10.1021/acs.organomet.8b00805.

Kumar R, A Karkamkar, M Bowden, and T Autrey. 2019. "Solid-state hydrogen rich boron-nitrogen compounds for energy storage." Chemical Society Reviews 48(21):5350-5380. DOI: 10.1039/c9cs00442d.

Kunwar D, SL Zhou, A DeLaRiva, EJ Peterson, HF Xiong, XI Pereira-Hernandez, SC Purdy, R ter Veen, HH Brongersma, JT Miller, H Hashiguchi, L Kovarik, S Lin, H Guo, Y Wang, and AK Datye. 2019. "Stabilizing High Metal Loadings of Thermally Stable Platinum Single Atoms on an Industrial Catalyst Support." Acs Catalysis 9(5):3978-3990. DOI: 10.1021/acscatal.8b04885.

Kuo CT, YB Lu, L Kovarik, M Engelhard, and AM Karim. 2019. "Structure Sensitivity of Acetylene Semi-Hydrogenation on Pt Single Atoms and Subnanometer Clusters." ACS Catalysis 9(12):11030-11041. DOI: 10.1021/acscatal.9b02840.

Laureanti JA, GW Buchko, S Katipamula, QW Su, JC Linehan, OA Zadvornyy, JW Peters, and M O'Hagan. 2019. "Protein Scaffold Activates Catalytic CO₂ Hydrogenation by a Rhodium Bis(diphosphine) Complex." Acs Catalysis 9(1):620-625. DOI: 10.1021/acscatal.8b02615.

Laureanti JA, M O'Hagan, and WJ Shaw. 2019. "Chicken fat for catalysis: a scaffold is as important for molecular complexes for energy transformations as it is for enzymes in catalytic function." Sustainable Energy & Fuels 3(12):3260-3278. DOI: 10.1039/c9se00229d.

• Research Highlight: Chicken Fat for Catalysis

Lee MS, VA Glezakou, R Rousseau, and BP McGrail. 2019. "Molecular Simulation of the Catalytic Regeneration of ⁿBuLi through a Hydrometalation Route." Inorganic Chemistry 58(5):3033-3040. DOI: 10.1021/acs.inorgchem.8b02910.

Li GQ, QY Shen, ZZ Yang, SW Kou, F Zhang, WF Zhang, HZ Guo, and YG Du. 2019. "Photocatalytic behaviors of epitaxial BiVO₄ (010) thin films." Applied Catalysis B-Environmental 248:115-119. DOI: 10.1016/j.apcatb.2019.02.028.

Li HQ, JM Sun, and Y Wang. 2019. "Surface acetone reactions on Zn_xZr_yO_z: A DRIFTS-MS study." Applied Catalysis a-General 573:22-31. DOI: 10.1016/j.apcata.2019.01.007.

Li YY, CH Wang, M Song, DS Li, XT Zhang, and YC Liu. 2019. "TiO_2-x/CoO_x photocatalyst sparkles in photothermocatalytic reduction of CO₂ with H₂O." Applied Catalysis B-Environmental 243:760-770. DOI: 10.1016/j.apcatb.2018.11.022.

Liang K, S Pakhira, ZZ Yang, A Nijamudheen, LC Ju, MY Wang, CI Aguirre-Velez, GE Sterbinsky, YG Du, ZX Feng, JL Mendoza-Cortes, and Y Yang. 2019. "S-Doped MoP Nanoporous Layer Toward High-Efficiency Hydrogen Evolution in pH-Universal Electrolyte." Acs Catalysis 9(1):651-659. DOI: 10.1021/acscatal.8b04291.

Liao Q, TB Liu, SI Johnson, CM Klug, ES Wiedner, RM Bullock, and DL DuBois. 2019. "Evaluation of attractive interactions in the second coordination sphere of iron complexes containing pendant amines." Dalton Transactions 48(15):4867-4878. DOI: 10.1039/c9dt00708c.

Lin B, AY Wang, YL Guo, YQ Ding, Y Guo, L Wang, WC Zhan, and F Gao. 2019. "Ambient Temperature NO Adsorber Derived from Pyrolysis of Co-MOF(ZIF-67)." Acs Omega 4(5):9542-9551. DOI: 10.1021/acsomega.9b00763.

Liu B, W Xu, LL Luo, JM Zheng, XD Ren, H Wang, MH Engelhard, CM Wang, and JG Zhang. 2019. "Highly Stable Oxygen Electrodes Enabled by Catalyst Redistribution through an In Situ Electrochemical Method." Advanced Energy Materials 9(15). DOI: 10.1002/aenm.201803598.

Liu J, HT Schaef, PF Martin, BP McGrail, and LS Fifield. 2019. "Understanding H₂ Evolution from the Decomposition of Dibutylmagnesium Isomers Using in-Situ X-ray Diffraction Coupled with Mass Spectroscopy." Acs Applied Energy Materials 2(7):5272-5278. DOI: 10.1021/acsaem.9b00958.

Liu JS, ED Jia, L Wang, KA Stoerzinger, H Zhou, CS Tang, XM Yin, X He, E Bousquet, ME Bowden, ATS Wee, SA Chambers, and YG Du. 2019. "Tuning the Electronic Structure of LaNiO₃ through Alloying with Strontium to Enhance Oxygen Evolution Activity." Advanced Science 6(19). DOI: 10.1002/advs.201901073.

Lopez JS, RA Dagle, VL Dagle, C Smith, and KO Albrecht. 2019. "Oligomerization of ethanol-derived propene and isobutene mixtures to transportation Fuels: catalyst and process considerations." Catalysis Science & Technology 9(5):1117-1131. DOI: 10.1039/c8cy02297f.

Lopez JS, VL Dagle, CA Deshmane, L Kovarik, RS Wegeng, and RA Dagle. 2019. "Methane and Ethane Steam Reforming over MgAl₂O_4-Supported Rh and Ir Catalysts: Catalytic Implications for Natural Gas Reforming Application." Catalysts 9(10). DOI: 10.3390/catal9100801.

Lopez-Ruiz JA, E Andrews, SA Akhade, MS Lee, K Koh, U Sanyal, SF Yuk, AJ Karkamkar, MA Derewinski, J Holladay, VA Glezakou, R Rousseau, OY Gutierrez, and JD Holladay. 2019. "Understanding the Role of Metal and Molecular Structure on the Electrocatalytic Hydrogenation of Oxygenated Organic Compounds." Acs Catalysis 9(11):9964-9972. DOI: 10.1021/acscatal.9b02921.

Lu YB, CT Kuo, L Kovarik, AS Hoffman, A Boubnov, DM Driscoll, JR Morris, SR Bare, and AM Karim. 2019. "A versatile approach for quantification of surface site fractions using reaction kinetics: The case of CO oxidation on supported Ir single atoms and nanoparticles." Journal of Catalysis 378:121-130. DOI: 10.1016/j.jcat.2019.08.023.

Lu YB, JM Wang, L Yu, L Kovarik, XW Zhang, AS Hoffman, A Gallo, SR Bare, D Sokaras, T Kroll, V Dagle, HL Xin, and AM Karim. 2019. "Identification of the active complex for CO oxidation over single-atom Ir-on-MgAl₂O₄ catalysts." Nature Catalysis 2(2):149-156. DOI: 10.1038/s41929-018-0192-4.

Luo WQ, H Shi, M Wagenhofer, O Gutierrez, and J Lercher. 2019. "Maximizing Active Site Concentrations at Ni-Substituted WS₂ Edges for Hydrogenation of Aromatic Molecules." Journal of Physical Chemistry Letters 10(18):5617-5622. DOI: 10.1021/acs.jpclett.9b02203.

Maity K, K Nath, MA Sinnwell, RK Motkuri, PK Thallapally, and K Biradha. 2019. "Isoreticular Expansion of Metal-Organic Frameworks via Pillaring of Metal Templated Tunable Building Layers: Hydrogen Storage and Selective CO₂ Capture." Chemistry - a European Journal 25(64):14500-14505. DOI: 10.1002/chem.201902491.

Malhotra D, DC Cantu, PK Koech, DJ Heldebrant, A Karkamkar, F Zheng, MD Bearden, R Rousseau, and VA Glezakou. 2019. "Directed Hydrogen Bond Placement: Low Viscosity Amine Solvents for CO₂ Capture." Acs Sustainable Chemistry & Engineering 7(8):7535-7542. DOI: 10.1021/acssuschemeng.8b05481.

Marcinkowski MD, SF Yuk, N Doudin, RS Smith, MT Nguyen, BD Kay, VA Glezakou, R Rousseau, and Z Dohnalek. 2019. "Low-Temperature Oxidation of Methanol to Formaldehyde on a Model Single-Atom Catalyst: Pd Atoms on Fe₃O₄(001)." ACS Catalysis 9(12):10977-10982. DOI: 10.1021/acscatal.9b03891.

Mehta HS, Y Chen, JA Sears, ED Walter, M Campos, J Kothandaraman, DJ Heldebrant, DW Hoyt, KT Mueller, and NM Washton. 2019. "A novel high-temperature MAS probe with optimized temperature gradient across sample rotor for in-situ monitoring of high-temperature high-pressure chemical reactions." Solid State Nuclear Magnetic Resonance 102:31-35. DOI: 10.1016/j.ssnmr.2019.06.003.

Mei DH and OA Lercher. 2019. "Effects of Local Water Concentrations on Cyclohexanol Dehydration in H-BEA Zeolites." Journal of Physical Chemistry C 123(41):25255-25266. DOI: 10.1021/acs.jpcc.9b07738.

Mei DH, F Gao, J Szanyi, and Y Wang. 2019. "Mechanistic insight into the passive NO_x adsorption in the highly dispersed Pd/HBEA zeolite." Applied Catalysis a-General 569:181-189. DOI: 10.1016/j.apcata.2018.10.037.

Melzer D, G Mestl, K Wanninger, YY Zhu, ND Browning, M Sanchez-Sanchez, and JA Lercher. 2019. "Design and synthesis of highly active MoVTeNb-oxides for ethane oxidative dehydrogenation." Nature Communications 10. DOI: 10.1038/s41467-019-11940-0.

Miller QRS, DA Dixon, SD Burton, ED Walter, DW Hoyt, AS McNeill, JD Moon, KS Thanthiriwatte, ES Ilton, O Qafoku, CJ Thompson, HT Schaef, KM Rosso, and JS Loring. 2019. "Surface-Catalyzed Oxygen Exchange during Mineral Carbonation in Nanoscale Water Films." Journal of Physical Chemistry C 123(20):12871-12885. DOI: 10.1021/acs.jpcc.9b02215.

Monroe E, J Gladden, KO Albrecht, JT Bays, R McCormick, RW Davis, and A George. 2019. "Discovery of novel octane hyperboosting phenomenon in prenol biofuel/gasoline blends." Fuel 239:1143-1148. DOI: 10.1016/j.Fuel.2018.11.046.

Mulcahy JR, S He, DS Jin, WX Guo, S Arteta, JB Cliff, ZH Zhu, and WD Wei. 2019. "Experimental Insights into the Growth of Single Truncated Anatase Bipyramids." Chemistry-a European Journal 25(4):993-996. DOI: 10.1002/chem.201805773.

Murugesan V, M Gray, M Guo, H Job, L Kovarik, A Devaraj, S Thevuthasan, and KK Ramasamy. 2019. "Thermally activated nucleation and growth of cobalt and nickel oxide nanoparticles on porous silica." Journal of Vacuum Science & Technology A 37(3). DOI: 10.1116/1.5080448.

Nelson NC, MT Nguyen, VA Glezakou, R Rousseau, and J Szanyi. 2019. "Carboxyl intermediate formation via an in situ-generated metastable active site during water-gas shift catalysis." Nature Catalysis 2(10):916-924. DOI: 10.1038/s41929-019-0343-2.

• Research Highlight: PNNL Solves Decade-Old Mystery in Chemical Transformations

Nie L, Z Li, T Kuang, S Lyu, SX Liu, YH Zhang, B Peng, JL Li, and L Wang. 2019. "Role of well-defined cobalt crystal facets in Fischer-Tropsch synthesis: a combination of experimental and theoretical studies." Chemical Communications 55(71):10559-10562. DOI: 10.1039/c9cc05528b.

Niu XH, QR Shi, WL Zhu, D Liu, HY Tian, SF Fu, N Cheng, SQ Li, JN Smith, D Du, and YH Lin. 2019. "Unprecedented peroxidase-mimicking activity of single-atom nanozyme with atomically dispersed Fe-N_x moieties hosted by MOF derived porous carbon." Biosensors & Bioelectronics 142. DOI: 10.1016/j.bios.2019.111495.

Nova I, B Epling, and C Peden. 2019. "Novel Catalysis for Vehicle Emissions Control Preface." Catalysis Today 320:1-1. DOI: 10.1016/j.cattod.2018.10.044.

Nune SK, DB Lao, ME Bowden, HT Schaef, RS Vemuri, RK Motkuri, and BP McGrail. 2019. "Investigation of reactive intermediates during the synthesis of di-n-butylmagnesium." Inorganica Chimica Acta 489:150-154. DOI: 10.1016/j.ica.2019.01.035.

Olarte MV, KO Albrecht, JT Bays, E Polikarpov, B Maddi, JC Linehan, MJ O'Hagan, and DJ Gaspar. 2019. "Autoignition and select properties of low sample volume thermochemical mixtures from renewable sources." Fuel 238:493-506. DOI: 10.1016/j.Fuel.2018.10.115.

Ong PV, H Hosono, and PV Sushko. 2019. "Structure and Electronic Properties of [Ca₂₄Al₂₈O₆₄]⁴⁺·4e^- Surfaces: Opportunities for Termination-Controlled Electron Transfer." Journal of Physical Chemistry C 123(10):6030-6036. DOI: 10.1021/acs.jpcc.8b11866.

Pang JF, JM Sun, MY Zheng, HQ Li, Y Wang, and T Zhang. 2019. "Transition metal carbide catalysts for biomass conversion: A review." Applied Catalysis B-Environmental 254:510-522. DOI: 10.1016/j.apcatb.2019.05.034.

Peden CHF. 2019. "Cu/Chabazite catalysts for 'Lean-Burn' vehicle emission control." Journal of Catalysis 373:384-389. DOI: 10.1016/j.jcat.2019.04.046.

Pegis ML, DJ Martin, CF Wise, AC Brezny, SI Johnson, LE Johnson, N Kumar, S Raugei, and JM Mayer. 2019. "Mechanism of Catalytic O-2 Reduction by Iron Tetraphenylporphyrin." Journal of the American Chemical Society 141(20):8315-8326. DOI: 10.1021/jacs.9b02640.

Pereira-Hernández XI, A DeLaRiva, V Muravev, D Kunwar, H Xiong, B Sudduth, M Engelhard, L Kovarlk, EJM Hcnscn, Y Wang, and AK Datye. 2019. "Tuning Pt-CeO₂ interactions by high-temperature vapor-phase synthesis for improved reducibility of lattice oxygen." Nature Communications 10. DOI: 10.1038/s41467-019-09308-5.

• Research Highlight: Making Every Atom Count to Reduce Auto Emissions

Polikarpov E, KO Albrecht, JP Page, D Malhotra, PK Koech, L Cosimbescu, and DJ Gaspar. 2019. "Critical Fuel property evaluation for potential gasoline and diesel biofuel blendstocks with low sample volume availability." Fuel 238:26-33. DOI: 10.1016/j.Fuel.2018.09.129.

Prabhakaran V, ZL Lang, A Clotet, JM Poblet, GE Johnson, and J Laskin. 2019. "Controlling the Activity and Stability of Electrochemical Interfaces Using Atom-by-Atom Metal Substitution of Redox Species." Acs Nano 13(1):458-466. DOI: 10.1021/acsnano.8b06813.

Prokopchuk DE, GM Chambers, ED Walter, MT Mock, and RM Bullock. 2019. "H₂ Binding, Splitting, and Net Hydrogen Atom Transfer at a Paramagnetic Iron Complex." Journal of the American Chemical Society 141(5):1871-1876. DOI: 10.1021/jacs.8b12823.

Qi L, A Chamas, ZR Jones, ED Walter, DW Hoyt, NM Washton, and SL Scott. 2019. "Unraveling the Dynamic Network in the Reactions of an Alkyl Aryl Ether Catalyzed by Ni/gamma-Al₂O₃ in 2-Propanol." Journal of the American Chemical Society 141(43):17370-17381. DOI: 10.1021/jacs.9b09071.

Ren P, M Song, J Lee, J Zheng, ZX Lu, M Engelhard, XC Yang, XL Li, D Kisailus, and DS Li. 2019. "Edge Dislocations Induce Improved Photocatalytic Efficiency of Colored TiO₂." Advanced Materials Interfaces 6(17). DOI: 10.1002/admi.201901121.

Rosso KM, O Diwald, and RHR Castro. 2019. "Focus Issue: Understanding Water-Oxide Interfaces to Harness New Processes and Technologies Introduction." Journal of Materials Research 34(3):357-358. DOI: 10.1557/jmr.2019.64.

Sanyal U, Y Song, N Singh, JL Fulton, J Herranz, A Jentys, OY Gutierrez, and JA Lercher. 2019. "Structure Sensitivity in Hydrogenation Reactions on Pt/C in Aqueous-phase." Chemcatchem 11(1):575-582. DOI: 10.1002/cctc.201801344.

Satyavolu NSR, AS Peinetti, YM Wang, AS Ali, JW Lin, and Y Lu. 2019. "Silver-Assisted Synthesis of High-Indexed Palladium Tetrahexahedral Nanoparticles and Their Morphological Variants." Chemistry of Materials 31(8):2923-2929. DOI: 10.1021/acs.chemmater.9b00275.

Settle AE, NS Cleveland, CA Farberow, DR Conklin, XC Huo, AA Dameron, RW Tracy, R Sarkar, EJ Kautz, A Devaraj, KK Ramasamy, MJ Watson, AM York, RM Richards, KA Unocic, GT Beckham, MB Griffin, KE Hurst, ECD Tan, ST Christensen, and DR Vardon. 2019. "Enhanced Catalyst Durability for Bio-Based Adipic Acid Production by Atomic Layer Deposition." Joule 3(9):2219-2240. DOI: 10.1016/j.Joule.2019.06.022.

Shan B, MK Brenneman, L Troian-Gautier, YM Liu, A Nayak, CM Klug, TT Li, RM Bullock, and TJ Meyer. 2019. "A Silicon-Based Heterojunction Integrated with a Molecular Excited State in a Water-Splitting Tandem Cell." Journal of the American Chemical Society 141(26):10390-10398. DOI: 10.1021/jacs.9b04238.

Singh N, MS Lee, SA Akhade, GH Cheng, DM Camaioni, OY Gutierrez, VA Glezakou, R Rousseau, JA Lercher, and CT Campbell. 2019. "Impact of pH on Aqueous-Phase Phenol Hydrogenation Catalyzed by Carbon-Supported Pt and Rh." Acs Catalysis 9(2):1120-1128. DOI: 10.1021/acscatal.8b04039.

Singh N, U Sanyal, JL Fulton, OY Gutierrez, JA Lercher, and CT Campbell. 2019. "Quantifying Adsorption of Organic Molecules on Platinum in Aqueous Phase by Hydrogen Site Blocking and in Situ X-ray Absorption Spectroscopy." Acs Catalysis 9(8):6869-6881. DOI: 10.1021/acscatal.9b01415.

Smith RS and BD Kay. 2019. "Desorption Kinetics of Carbon Dioxide from a Graphene-Covered Pt(111) Surface." Journal of Physical Chemistry A 123(15):3248-3254. DOI: 10.1021/acs.jpca.9b00674.

Stavila V, M Foster, JW Brown, RW Davis, J Edgington, AI Benin, RA Zarkesh, R Parthasarathi, DW Hoyt, ED Walter, A Andersen, NM Washton, AS Lipton, and MD Allendorf. 2019. "IRMOF-74(n)-Mg: a novel catalyst series for hydrogen activation and hydrogenolysis of C-O bonds." Chemical Science 10(42):9880-9892. DOI: 10.1039/c9sc01018a.

Sun Q, YQ Tang, B Aguila, S Wang, FS Xiao, PK Thallapally, AM Al-Enizi, A Nafady, and SQ Ma. 2019. "Reaction Environment Modification in Covalent Organic Frameworks for Catalytic Performance Enhancement." Angewandte Chemie-International Edition 58(26):8670-8675. DOI: 10.1002/anie.201900029.

Szanyi J and F Gao. 2019. "Preface: Special Issue celebrating the 65th birthday of Charles (Chuck) HF Peden: Automotive emission control catalysis and catalysis on metal oxides." Applied Catalysis a-General 583. DOI: 10.1016/j.apcata.2019.117147.

Tran BL, JL Fulton, JC Linehan, M Balasubramanian, JA Lercher, and RM Bullock. 2019. "Operando XAFS Studies on Rh(CAAC)-Catalyzed Arene Hydrogenation." Acs Catalysis 9(5):4106-4114. DOI: 10.1021/acscatal.8b04929.

Vityuk A, K Khivantsev, HA Aleksandrov, GN Vayssilov, OS Alexeev, and MD Amiridis. 2019. "Room-Temperature Ethene Hydrogenation Activity of Transition Metal-Free HY Zeolites." Acs Catalysis 9(2):839-847. DOI: 10.1021/acscatal.8b04000.

Walsh AP, JA Laureanti, S Katipamula, GM Chambers, N Priyadarshani, S Lense, JT Bays, JC Linehan, and WJ Shaw. 2019. "Evaluating the impacts of amino acids in the second and outer coordination spheres of Rh-bis(diphosphine) complexes for CO₂ hydrogenation." Faraday Discussions 215:123-140. DOI: 10.1039/c8fd00164b.

Wang AY, Y Chen, ED Walter, NM Washton, DH Mei, T Varga, YL Wang, J Szanyi, Y Wang, CHF Peden, and F Gao. 2019. "Unraveling the mysterious failure of Cu/SAPO-34 selective catalytic reduction catalysts." Nature Communications 10. DOI: 10.1038/s41467-019-09021-3.

Wang AY, YL Wang, ED Walter, NM Washton, YL Guo, GZ Lu, CHF Peden, and F Gao. 2019. "NH₃-SCR on Cu, Fe and Cu plus Fe exchanged beta and SSZ-13 catalysts: Hydrothermal aging and propylene poisoning effects." Catalysis Today 320:91-99. DOI: 10.1016/j.cattod.2017.09.061.

Wang GZ, ZZ Yang, YG Du, and Y Yang. 2019. "Programmable Exposure of Pt Active Facets for Efficient Oxygen Reduction." Angewandte Chemie-International Edition 58(44):15848-15854. DOI: 10.1002/anie.201907322.

Wang JG, YY Zhang, XF Yu, X Hua, FY Wang, YT Long, and ZH Zhu. 2019. "Direct Molecular Evidence of Proton Transfer and Mass Dynamics at the Electrode-Electrolyte Interface." Journal of Physical Chemistry Letters 10(2):251-258. DOI: 10.1021/acs.jpclett.8b03282.

Wang L, KA Stoerzinger, L Chang, XM Yin, YY Li, CS Tang, ED Jia, ME Bowden, ZZ Yang, A Abdelsamie, L You, R Guo, JS Chen, A Rusydi, JL Wang, SA Chambers, and YG Du. 2019. "Strain Effect on Oxygen Evolution Reaction Activity of Epitaxial NdNiO₃ Thin Films." Acs Applied Materials & Interfaces 11(13):12941-12947. DOI: 10.1021/acsami.8b21301.

Wang M, NR Jaegers, MS Lee, C Wan, JZ Hu, H Shi, DH Mei, SD Burton, DM Camaioni, OY Gutierrez, VA Glezakou, R Rousseau, Y Wang, and JA Lercher. 2019. "Genesis and Stability of Hydronium Ions in Zeolite Channels." Journal of the American Chemical Society 141(8):3444-3455. DOI: 10.1021/jacs.8b07969.

Wang RF, ZH Sun, JP Choi, SN Basu, JW Stevenson, and MC Tucker. 2019. "Ferritic stainless steel interconnects for protonic ceramic electrochemical cell stacks: Oxidation behavior and protective coatings." International Journal of Hydrogen Energy 44(47):25297-25309. DOI: 10.1016/j.ijhydene.2019.08.041.

Wang RF, ZH Sun, JP Choi, SN Basu, JW Stevenson, and MC Tucker. 2019. "Ferritic stainless steel interconnects for protonic ceramic electrochemical cell stacks: Oxidation behavior and protective coatings." International Journal of Hydrogen Energy 44(47):25297-25309. DOI: 10.1016/j.ijhydene.2019.08.041.

Weber RS. 2019. "Effective Use of Renewable Electricity for Making Renewable Fuels and Chemicals." Acs Catalysis 9(2):946-950. DOI: 10.1021/acscatal.8b04143.

Weber RS. 2019. "Normalizing Hetereogeneous Electrocatalytic and Photocatalytic Rates." Acs Omega 4(2):4109-4112. DOI: 10.1021/acsomega.8b03377.

Weber-Stockbauer M, OY Gutierrez, R Bermejo-Deval, and JA Lercher. 2019. "Cesium Induced Changes in the Acid-Base Properties of Metal Oxides and the Consequences for Methanol Thiolation." Acs Catalysis 9(10):9245-9252. DOI: 10.1021/acscatal.9b02537.

Weber-Stockbauer M, OY Gutierrez, R Bermejo-Deval, and JA Lercher. 2019. "The role of weak Lewis acid sites for methanol thiolation." Catalysis Science & Technology 9(2):509-516. DOI: 10.1039/c8cy02250j.

Wiedner ES. 2019. "Thermodynamic Hydricity of [FeFe]-Hydrogenases." Journal of the American Chemical Society 141(18):7212-7222. DOI: 10.1021/jacs.8b13084.

Wong BM, G Collinge, AJR Hensley, Y Wang, and JS McEwen. 2019. "Benchmarking the accuracy of coverage-dependent models: adsorption and desorption of benzene on Pt (111) and Pt₃Sn (111) from first principles." Progress in Surface Science 94(2). DOI: 10.1016/j.progsurf.2019.04.001.

Wu BB, Y Yang, DY Liu, CJ Niu, M Gross, L Seymour, H Lee, PML Le, TD Vo, ZD Deng, EJ Dufek, MS Whittingham, J Liu, and J Xiao. 2019. "Good Practices for Rechargeable Lithium Metal Batteries." J. Electrochem. Soc. 166(16):A4141-A4149. DOI: 10.1149/2.0691916jes.

Xiang YZ, L Kovarik, and N Kruse. 2019. "Rate and selectivity hysteresis during the carbon monoxide hydrogenation over promoted Co/MnOx catalysts." Nature Communications 10. DOI: 10.1038/s41467-019-11836-z.

Xiao DJ, ED Chant, AD Frankhouser, Y Chen, A Yau, NM Washton, and MW Kanan. 2019. "A closed cycle for esterifying aromatic hydrocarbons with CO₂ and alcohol." Nature Chemistry 11(10):940-947. DOI: 10.1038/s41557-019-0313-y.

Xie XH, M Song, LG Wang, MH Engelhard, LL Luo, A Miller, YY Zhang, L Du, HL Pan, ZM Nie, YY Chu, L Estevez, ZD Wei, H Liu, CM Wang, DS Li, and YY Shao. 2019. "Electrocatalytic Hydrogen Evolution in Neutral pH Solutions: Dual-Phase Synergy." Acs Catalysis 9(9):8712-8718. DOI: 10.1021/acscatal.9b02609.

Xu J, YM Liu, AS Lipton, JX Ye, GL Hoatson, PJ Milner, TM McDonald, RL Siegelman, AC Forse, B Smit, JR Long, and JA Reimer. 2019. "Amine Dynamics in Diamine-Appended Mg₂(dobpdc) Metal-Organic Frameworks." Journal of Physical Chemistry Letters 10(22):7044-7049. DOI: 10.1021/acs.jpclett.9b02883.

Yang GJ, SA Akhade, X Chen, Y Liu, MS Lee, VA Glezakou, R Rousseau, and JA Lercher. 2019. "The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase." Angewandte Chemie-International Edition 58(11):3527-3532. DOI: 10.1002/anie.201813958.

Yang LJ, JL Shui, L Du, YY Shao, J Liu, LM Dai, and Z Hu. 2019. "Carbon-Based Metal-Free ORR Electrocatalysts for Fuel Cells: Past, Present, and Future." Advanced Materials 31(13). DOI: 10.1002/adma.201804799.

Yao YG, ZN Huang, PF Xie, LP Wu, L Ma, TY Li, ZQ Pang, ML Jiao, ZQ Liang, JL Gao, Y He, DJ Kline, MR Zachariah, CM Wang, J Lu, TP Wu, T Li, C Wang, R Shahbazian, and LB Hu. 2019. "High temperature shockwave stabilized single atoms." Nature Nanotechnology 14(9):851-+. DOI: 10.1038/s41565-019-0518-7.

Yu N, MM Rahman, JX Chen, JM Sun, M Engelhard, XIP Hernandez, and Y Wang. 2019. "Steam reforming of simulated bio-oil on K-Ni-Cu-Mg-Ce-O/Al2O3: The effect of K." Catalysis Today 323:183-190. DOI: 10.1016/j.cattod.2018.04.010.

Yu Y, T He, AA Wu, QJ Pei, A Karkamkar, T Autrey, and P Chen. 2019. "Reversible Hydrogen Uptake/Release over a Sodium Phenoxide-Cyclohexanolate Pair." Angewandte Chemie-International Edition 58(10):3102-3107. DOI: 10.1002/anie.201810945.

Yu ZQ, AJ Wang, S Liu, YL Yao, ZC Sun, X Li, YY Liu, Y Wang, DM Camaioni, and JA Lercher. 2019. "Hydrodeoxygenation of phenolic compounds to cycloalkanes over supported nickel phosphides." Catalysis Today 319:48-56. DOI: 10.1016/j.cattod.2018.05.012.

Zacher AH, DC Elliott, MV Olarte, HM Wang, SB Jones, and PA Meyer. 2019. "Technology advancements in hydroprocessing of bio-oils." Biomass & Bioenergy 125:151-168. DOI: 10.1016/j.biombioe.2019.04.015.

Zhang Y, RX Zhao, M Sanchez-Sanchez, GL Haller, JZ Hu, R Bermejo-Deval, Y Liu, and JA Lercher. 2019. "Promotion of protolytic pentane conversion on H-MFI zeolite by proximity of extra-framework aluminum oxide and Bronsted acid sites." Journal of Catalysis 370:424-433. DOI: 10.1016/j.jcat.2019.01.006.

Zhang YK, YL Zhong, AL Connor, DP Miller, RK Cao, J Shen, B Song, ES Baker, Q Tang, S Pulavarti, R Liu, QW Wang, ZL Lu, T Szyperski, HQ Zeng, XP Li, RD Smith, E Zurek, J Zhu, and B Gong. 2019. "Folding and Assembly of Short alpha, beta, gamma-Hybrid Peptides: Minor Variations in Sequence and Drastic Differences in Higher-Level Structures." Journal of the American Chemical Society 141(36):14239-14248. DOI: 10.1021/jacs.9b06094.

Zhang YN, Y Peng, KZ Li, S Liu, JJ Chen, JH Li, F Gao, and CHF Peden. 2019. "Using Transient FTIR Spectroscopy to Probe Active Sites and Reaction Intermediates for Selective Catalytic Reduction of NO on Cu/SSZ-13 Catalysts." Acs Catalysis 9(7):6137-6145. DOI: 10.1021/acscatal.9b00759.

Zhang YY, JG Wang, XF Yu, DR Baer, Y Zhao, LQ Mao, FY Wang, and ZH Zhu. 2019. "Potential-Dynamic Surface Chemistry Controls the Electrocatalytic Processes of Ethanol Oxidation on Gold Surfaces." Acs Energy Letters 4(1):215-221. DOI: 10.1021/acsenergylett.8b02019.

Zhao D, PK Thallapally, C Petit, and J Gascon. 2019. "Advanced Porous Materials: Design, Synthesis, and Applications in Sustainability." Acs Sustainable Chemistry & Engineering 7(9):7997-7998. DOI: 10.1021/acssuschemeng.9b02021.

Zhao YT, H Wang, JY Han, XL Zhu, DH Mei, and QF Ge. 2019. "Simultaneous Activation of CH₄ and CO₂ for Concerted C-C Coupling at Oxide-Oxide Interfaces." Acs Catalysis 9(4):3187-3197. DOI: 10.1021/acscatal.9b00291.

Zheng J, JY Ye, MA Ortuno, JL Fulton, OY Gutierrez, DM Camaioni, RK Motkuri, ZY Li, TE Webber, BL Mehdi, ND Browning, RL Penn, OK Farha, JT Hupp, DG Truhlar, CJ Cramer, and JA Lercher. 2019. "Selective Methane Oxidation to Methanol on Cu-Oxo Dimers Stabilized by Zirconia Nodes of an NU-1000 Metal-Organic Framework." Journal of the American Chemical Society 141(23):9292-9304. DOI: 10.1021/jacs.9b02902.

Zhou LQ, C Ling, H Zhou, X Wang, J Liao, GK Reddy, LZ Deng, TC Peck, RG Zhang, MS Whittingham, CM Wang, CW Chu, Y Yao, and HF Jia. 2019. "A high-performance oxygen evolution catalyst in neutral-pH for sunlight-driven CO₂ reduction." Nature Communications 10. DOI: 10.1038/s41467-019-12009-8.

Zhou TC, E Martinez-Baez, G Schenter, and AE Clark. 2019. "PageRank as a collective variable to study complex chemical transformations and their energy landscapes." Journal of Chemical Physics 150(13). DOI: 10.1063/1.5082648.

Zhu YH, SB Jones, AJ Schmidt, KO Albrecht, SJ Edmundson, and DB Anderson. 2019. "Techno-economic analysis of alternative aqueous phase treatment methods for microalgae hydrothermal liquefaction and biocrude upgrading system." Algal Research-Biomass Biofuels and Bioproducts 39. DOI: 10.1016/j.algal.2019.101467.

• Research Highlight: The Rational Design of More Active Catalysts: Kelsey Stoerzinger

2018

Allendorf MD, Z Hulvey, T Gennett, A Ahmed, T Autrey, J Camp, ES Cho, H Furukawa, M Haranczyk, M Head-Gordon, S Jeong, A Karkamkar, DJ Liu, JR Long, KR Meihaus, IH Nayyar, R Nazarov, DJ Siegel, V Stavila, JJ Urban, SP Veccham, and BC Wood. 2018. "An assessment of strategies for the development of solid-state adsorbents for vehicular hydrogen storage." Energy & Environmental Science 11(10):2784-2812. DOI: 10.1039/c8ee01085d.

Apra E, A Bhattarai, KT Crampton, EJ Bylaska, N Govind, WP Hess, and PZ El-Khoury. 2018. "Time Domain Simulations of Single Molecule Raman Scattering." Journal of Physical Chemistry A 122(37):7437-7442. DOI: 10.1021/acs.jpca.8b05912.

Bagus PS, E Ilton, and CJ Nelin. 2018. "Extracting Chemical Information from XPS Spectra: A Perspective." Catalysis Letters. 148(7):1785-802. DOI: 10.1007/s10562-018-2417-1.

Baylon RAL, JM Sun, L Kovarik, M Engelhard, HQ Li, AD Winkelman, and Y Wang. 2018. "Structural identification of Zn_xZr_yO_z catalysts for Cascade aldolization and self-deoxygenation reactions." Applied Catalysis B-Environmental 234:337-346. DOI: 10.1016/j.apcatb.2018.04.051.

Bottenus D, D Caldwell, C Fischer, P Humble, M Powell, R Lucke, and W TeGrotenhuis. 2018. "Process intensification of distillation using a microwick technology to demonstrate separation of propane and propylene." Aiche Journal 64(10):3690-3699. DOI: 10.1002/aic.16325.

Bravo-Suarez JJ, HM Wang, MV Olarte, and F Tao. 2018. "Selected Contributions to the Symposium on Catalysts & Catalytic Technologies for Conversion of Biomass & Its Derivatives (252nd ACS Meeting and Exposition, Philadelphia, PA) Preface." Catalysis Today. 302:1-1. DOI: 10.1016/j.cattod.2017.11.015.

Bray J, AJR Hensley, G Collinge, FL Che, Y Wang, and JS McEwen. 2018. "Modeling the Adsorbate Coverage Distribution over a Multi-Faceted Catalytic Grain in the Presence of an Electric Field: O/Fe from First Principles." Catalysis Today. 312:92-104. DOI: 10.1016/j.cattod.2018.04.016.

Bray J, G Collinge, C Stampfl, Y Wang, and JS McEwen. 2018. "Predicting the Electric Field Effect on the Lateral Interactions between Adsorbates: O/Fe(100) from First Principles." Topics in Catalysis. 61(9-11):763-75. DOI: 10.1007/s11244-018-0944-z.

Brittain AD, NJ Chrisandina, RE Cooper, M Buchanan, JR Cort, MV Olarte, and C Sievers. 2018. "Quenching of Reactive Intermediates During Mechanochemical Depolymerization of Lignin." Catalysis Today. 302:180-89. DOI: 10.1016/j.cattod.2017.04.066.

Buchko GW, RJ Arachchige, JH Tao, BJ Tarasevich, and WJ Shaw. 2018. "Identification of major matrix metalloproteinase-20 proteolytic processing products of murine amelogenin and tyrosine-rich amelogenin peptide using a nuclear magnetic resonance spectroscopy based method." Archives of Oral Biology 93:187-194. DOI: 10.1016/j.archoralbio.2018.06.001.

Butcher MG, PA Meyer, RT Hallen, KO Albrecht, CK Clayton, E Polikarpov, KG Rappe, SB Jones, and JK Magnuson. 2018. "Fungal Metabolites as Precursors to Renewable Transportation Fuels." Fuel. 215:123-41. DOI: 10.1016/j.fuel.2017.10.052.

Cai H, J Markham, S Jones, PT Benavides, JB Dunn, M Biddy, L Tao, P Lamers, and S Phillips. 2018. "Techno-Economic Analysis and Life-Cycle Analysis of Two Light-Duty Bioblendstocks: Isobutanol and Aromatic-Rich Hydrocarbons." Acs Sustainable Chemistry & Engineering 6(7):8790-8800. DOI: 10.1021/acssuschemeng.8b01152.

Cantu DC, AB Padmaperuma, MT Nguyen, SA Akhade, Y Yoon, YG Wang, MS Lee, VA Glezakou, R Rousseau, and MA Lilga. 2018. "Combined Experimental and Theoretical Study on the Activity and Selectivity of the Electrocatalytic Hydrogenation of Aldehydes." Acs Catalysis 8(8):7645-7658. DOI: 10.1021/acscatal.8b00858.

Chambers GM, ES Wiedner, and RM Bullock. 2018. "H₂ Oxidation Electrocatalysis Enabled by Metal-to-Metal Hydrogen Atom Transfer: A Homolytic Approach to a Heterolytic Reaction." Angewandte Chemie-International Edition 57(41):13523-13527. DOI: 10.1002/anie.201807510.

Chen HD, F Zhang, WF Zhang, YG Du, and GQ Li. 2018. "Negative Impact of Surface Ti₃⁺ Defects on the Photocatalytic Hydrogen Evolution Activity of SrTiO₃." Applied Physics Letters. 112(1). DOI: 10.1063/1.5009321.

Chen JG, RM Crooks, LC Seefeldt, KL Bren, RM Bullock, MY Darensbourg, PL Holland, B Hoffman, MJ Janik, AK Jones, MG Kanatzidis, P King, KM Lancaster, SV Lymar, P Pfromm, WF Schneider, and RR Schrock. 2018. "Inorganic Chemistry Beyond Fossil Fuel-Driven Nitrogen Transformations." Science. 360(6391):873. DOI: 10.1126/science.aar6611.

Chen JG, RM Crooks, LC Seefeldt, KL Bren, RM Bullock, MY Darensbourg, PL Holland, B Hoffman, MJ Janik, AK Jones, MG Kanatzidis, P King, KM Lancaster, SV Lymar, P Pfromm, WF Schneider, and RR Schrock. 2018. "Beyond fossil fuel-driven nitrogen transformations." Science 360(6391). DOI: 10.1126/science.aar6611.

Crane MJ, XZ Zhou, EJ Davis, and PJ Pauzauskie. 2018. "Photothermal Heating and Cooling of Nanostructures." Chemistry-an Asian Journal 13(18):2575-2586. DOI: 10.1002/asia.201800251.

Dagle VL, MD Flake, TL Lemmon, JS Lopez, L Kovarik, and RA Dagle. 2018. "Effect of the SiO₂ support on the catalytic performance of Ag/ZrO₂/SiO₂ catalysts for the single-bed production of butadiene from ethanol." Applied Catalysis B-Environmental 236:576-587. DOI: 10.1016/j.apcatb.2018.05.055.

Dahal A, RT Mu, I Lyubinetsky, and Z Dohnalek. 2018. "Hydrogen adsorption and reaction on RuO₂(110)." Surface Science 677:264-270. DOI: 10.1016/j.susc.2018.07.014.

Datye A and Y Wang. 2018. "Atom trapping: a novel approach to generate thermally stable and regenerable single-atom catalysts." National Science Review 5(5):630-632. DOI: 10.1093/nsr/nwy093.

Desai SP, J Ye, J Zheng, MS Ferrandon, TE Webber, AE Platero-Prats, JX Duan, P Garcia-Holley, DM Camaioni, KW Chapman, M Delferro, OK Farha, JL Fulton, L Gagliardi, JA Lercher, RL Penn, A Stein, and CC Lu. 2018. "Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes." Journal of the American Chemical Society 140(45):15309-15318. DOI: 10.1021/jacs.8b08550.

Devaraj A and P Eisenlohr. 2018. "Atom Probe Tomography and Correlative Microscopy: 3D Nanoscale Characterization of Metals, Minerals and Materials." Jom 70(9):1723-1724. DOI: 10.1007/s11837-018-3007-9.

Devaraj A, DE Perea, J Liu, LM Gordon, TJ Prosa, P Parikh, DR Diercks, S Meher, RP Kolli, YS Meng, and S Thevuthasan. 2018. "Three-Dimensional Nanoscale Characterisation of Materials by Atom Probe Tomography." International Materials Reviews. 63(2):68-101. DOI: 10.1080/09506608.2016.1270728.

Dong QZ, MM Wu, DH Mei, YY Shao, Y Wang, J Liu, HZ Li, and LY Hong. 2018. "Multifunctional Pd-Sn electrocatalysts enabled by in situ formed SnO_x and TiC triple junctions." Nano Energy 53:940-948. DOI: 10.1016/j.nanoen.2018.08.060.

Du L, YY Shao, JM Sun, GP Yin, CY Du, and Y Wang. 2018. "Electrocatalytic valorisation of biomass derived chemicals." Catalysis Science & Technology 8(13):3216-3232. DOI: 10.1039/c8cy00533h.

Dunn JB, M Biddy, S Jones, H Cai, PT Benavides, J Markham, L Tao, E Tan, C Kinchin, R Davis, A Dutta, M Bearden, C Clayton, S Phillips, K Rappe, and P Lamers. 2018. "Environmental, Economic, and Scalability Considerations and Trends of Selected Fuel Economy-Enhancing Biomass-Derived Blendstocks." ACS Sustainable Chemistry & Engineering. 6(1):561-69. DOI: 10.1021/ACSsuschemeng.7b02871.

Dutta A, AM Appel, and WJ Shaw. 2018. "Designing electrochemically reversible H₂ oxidation and production catalysts." Nature Reviews Chemistry 2(9):244-252. DOI: 10.1038/s41570-018-0032-8.

Egbert JD, JA Lopez-Ruiz, S Prodinger, JD Holladay, DM Mans, CE Wade, and RS Weber. 2018. "Counting surface redox sites in carbon-supported electrocatalysts by cathodic stripping of O deposited from N₂O." Journal of Catalysis 365:405-410. DOI: 10.1016/j.jcat.2018.07.026.

Feng YX, Q Wang, HF Xiong, SL Zhou, X Chen, XIP Hernandez, Y Wang, S Lin, AK Datye, and H Guo. 2018. "Correlating DFT Calculations with CO Oxidation Reactivity on Ga-Doped Pt/CeO₂ Single-Atom Catalysts." Journal of Physical Chemistry C 122(39):22460-22468. DOI: 10.1021/acs.jpcc.8b05815.

Flensley AJR, Y Wang, DH Mei, and JS McEwen. 2018. "Mechanistic Effects of Water on the Fe-Catalyzed Hydrodeoxygenation of Phenol. The Role of Bronsted Acid Sites." ACS Catalysis. 8(3):2200-08. DOI: 10.1021/ACScatal.7b02576.

Frederick RT, Z Noyotny, FP Netzer, GS Herman, and Z Dohnalek. 2018. "Growth and Stability of Titanium Dioxide Nanoclusters on Graphene/Ru(0001)." Journal of Physical Chemistry B. 122(2):640-48. DOI: 10.1021/ACS.jpcb.7b05518.

Fu SF, CZ Zhu, D Su, JH Song, SY Yao, S Feng, MH Engelhard, D Du, and YH Lin. 2018. "Porous Carbon-Hosted Atomically Dispersed Iron-Nitrogen Moiety as Enhanced Electrocatalysts for Oxygen Reduction Reaction in a Wide Range of pH." Small. 14(12). DOI: 10.1002/smll.201703118.

Fu SF, JH Song, CZ Zhu, GL Xu, K Amine, CJ Sun, XL Li, MH Engelhard, D Du, and YH Lin. 2018. "Ultrafine and Highly Disordered Ni₂Fe₁ Nanofoams Enabled Highly Efficient Oxygen Evolution Reaction in Alkaline Electrolyte." Nano Energy. 44:319-26. DOI: 10.1016/j.nanoen.2017.12.010.

Fu Y, YY Zhang, F Zhang, JM Chen, ZH Zhu, and XY Yu. 2018. "Does interfacial photochemistry play a role in the photolysis of pyruvic acid in water?" Atmospheric Environment 191:36-45. DOI: 10.1016/j.atmosenv.2018.07.061.

Galib M, GK Schenter, CJ Mundy, N Govind, and JL Fulton. 2018. "Unraveling the spectral signatures of solvent ordering in K-edge XANES of aqueous Na⁺." Journal of Chemical Physics 149(12). DOI: 10.1063/1.5024568.

Gao F, and CHF Peden. 2018. "Recent Progress in Atomic-Level Understanding of Cu/SSZ-13 Selective Catalytic Reduction Catalysts." Catalysts. 8(4). DOI: 10.3390/catal8040140.

Gao F, and J Szanyi. 2018. "The Stream of Change." Nature Catalysis. 1(3):174-75. DOI: 10.1038/s41929-018-0039-z.

Gao F, and J Szanyi. 2018. "On the Hydrothermal Stability of Cu/SSZ-13 SCR Catalysts." Applied Catalysis a-General. 560:185-94. DOI: 10.1016/j.apcata.2018.04.040.

Gittus OR, GF von Rudorff, KM Rosso, and J Blumberger. 2018. "Acidity Constants of the Hematite-Liquid Water Interface from Ab Initio Molecular Dynamics." Journal of Physical Chemistry Letters 9(18):5574-5582. DOI: 10.1021/acs.jpclett.8b01870.

Glezakou VA and R Rousseau. 2018. "Shedding light on black titania." Nature Materials 17(10):856-857. DOI: 10.1038/s41563-018-0150-1.

Guo L, Z Yang, K Marcus, Z Li, B Luo, L Zhou, X Wang, Y Du, and Y Yang. 2018. "MoS₂/TiO₂ Heterostructures as Nonmetal Plasmonic Photocatalysts for Highly Efficient Hydrogen Evolution." Energy & Environmental Science. 11(1):106-14. DOI: 10.1039/c7ee02464a.

Hardy JS, CA Coyle, JF Bonnett, JW Templeton, NL Canfield, DJ Edwards, SM Mahserejian, L Ge, BJ Ingram, and JW Stevenson. 2018. "Evaluation of Cation Migration in Lanthanum Strontium Cobalt Ferrite Solid Oxide Fuel Cell Cathodes Via in-Operando X-Ray Diffraction." Journal of Materials Chemistry A. 6(4):1787-801. DOI: 10.1039/c7ta06856e.

Harmon KJ, Y Chen, EJ Bylaska, JG Catalano, MJ Bedzyk, JH Weare, and P Fenter. 2018. "Insights on the Alumina Water Interface Structure by Direct Comparison of Density Functional Simulations with X-ray Reflectivity." Journal of Physical Chemistry C 122(47):26934-26944. DOI: 10.1021/acs.jpcc.8b08522.

He Y, JC Liu, LL Luo, YG Wang, JF Zhu, YG Du, J Li, SX Mao, and CM Wang. 2018. "Size-dependent dynamic structures of supported gold nanoparticles in CO oxidation reaction condition." Proceedings of the National Academy of Sciences of the United States of America 115(30):7700-7705. DOI: 10.1073/pnas.1800262115.

Henske JK, SE Wilken, KV Solomon, CR Smallwood, V Shutthanandan, JE Evans, MK Theodorou, and MA O'Malley. 2018. "Metabolic Characterization of Anaerobic Fungi Provides a Path Forward for Bioprocessing of Crude Lignocellulose." Biotechnology and Bioengineering. 115(4):874-84. DOI: 10.1002/bit.26515.

Hensley AJR, C Wockel, C Gleichweit, K Gotterbarm, C Papp, HP Steinruck, Y Wang, R Denecke, and JS McEwen. 2018. "Identifying the Thermal Decomposition Mechanism of Guaiacol on Pt(111): An Integrated X-Ray Photoelectron Spectroscopy and Density Functional Theory Study." Journal of Physical Chemistry C. 122(8):4261-73. DOI: 10.1021/ACS.jpcc.7b10006.

Hensley AJR, JH Zhang, I Vincon, XP Hernandez, D Tranca, G Seifert, JS McEwen, and Y Wang. 2018. "Mechanistic Understanding of Methanol Carbonylation: Interfacing Homogeneous and Heterogeneous Catalysis Via Carbon Supported Ir-La." Journal of Catalysis. 361:414-22. DOI: 10.1016/j.jcat.2018.02.022.

Heo I, SJ Schmieg, SH Oh, W Li, CHF Peden, CH Kim, and J Szanyi. 2018. "Improved Thermal Stability of a Copper-Containing Ceria-Based Catalyst for Low Temperature CO Oxidation under Simulated Diesel Exhaust Conditions." Catalysis Science & Technology. 8(5):1383-94. DOI: 10.1039/c7cy02288c.

Hoffman AS, LM Debefve, SJ Zhang, JE Perez-Aguilar, ET Conley, KR Justl, I Arslan, DA Dixon, and BC Gatesr. 2018. "Beating Heterogeneity of Single-Site Catalysts: MgO-Supported Iridium Complexes." ACS Catalysis. 8(4):3489-98. DOI: 10.1021/ACScata1.8b00143.

Hu JZ, NN Rajput, C Wan, YY Shao, XC Deng, NR Jaegers, M Hu, YW Chen, Y Shin, J Monk, Z Chen, ZH Qin, KT Mueller, J Liu, and KA Persson. 2018. "Mg-25 NMR and Computational Modeling Studies of the Solvation Structures and Molecular Dynamics in Magnesium Based Liquid Electrolytes." Nano Energy. 46:436-46. DOI: 10.1016/j.nanoen.2018.01.051.

Jarvis JM, JM Billing, YE Corilo, AJ Schmidt, RT Hallen, and TM Schaub. 2018. "FT-ICR MS Analysis of Blended Pine-Microalgae Feedstock HTL Biocrudes." Fuel. 216:341-48. DOI: 10.1016/j.fuel.2017.12.016.

Jarvis JM, KO Albrecht, JM Billing, AJ Schmidt, RT Hallen, and TM Schaub. 2018. "Assessment of Hydrotreatment for Hydrothermal Liquefaction Biocrudes from Sewage Sludge, Microalgae, and Pine Feedstocks." Energy & Fuels 32(8):8483-8493. DOI: 10.1021/acs.energyfuels.8b01445.

Jin Q, BH Chen, ZB Ren, X Liang, N Liu, and DH Mei. 2018. "A Theoretical Study on Reaction Mechanisms and Kinetics of Thiophene Hydrodesulfurization over MoS₂ Catalysts." Catalysis Today. 312:158-67. DOI: 10.1016/j.cattod.2018.02.013.

Jin Q, N Liu, BH Chen, and DH Mei. 2018. "Mechanisms of Semiconducting 2H to Metallic 1T Phase Transition in Two-dimensional MoS₂ Nanosheets." Journal of Physical Chemistry C 122(49):28215-28224. DOI: 10.1021/acs.jpcc.8b10256.

Karakoti AS, P Yang, WN Wang, V Patel, A Martinez, V Shutthanandan, S Seal, and S Thevuthasan. 2018. "Investigation of the Ligand Nanoparticle Interface: A Cryogenic Approach for Preserving Surface Chemistry." Journal of Physical Chemistry C. 122(6):3582-90. DOI: 10.1021/ACS.jpcc.7b09930.

Kendall AJ, SI Johnson, RM Bullock, and MT Mock. 2018. "Catalytic Silylation of N-2 and Synthesis of NH₃ and N₂H₄ by Net Hydrogen Atom Transfer Reactions Using a Chromium P₄ Macrocycle." Journal of the American Chemical Society. 140(7):2528-36. DOI: 10.1021/jACS.7b11132.

• Research Highlight: Chromium's Crowning Achievement: Breaking Dinitrogen's Triple Bond

Khivantsev K, F Gao, L Kovarik, Y Wang, and J Szanyi. 2018. "Molecular Level Understanding of How Oxygen and Carbon Monoxide Improve NO_x Storage in Palladium/SSZ-13 Passive NO_x Adsorbers: The Role of No⁺ and Pd(II)(CO)(NO) Species." Journal of Physical Chemistry C. 122(20):10820-27. DOI: 10.1021/ACS.jpcc.8b01007.

Khivantsev K, NR Jaegers, L Kovarik, JC Hanson, F Tao, Y Tang, XY Zhang, IZ Koleva, HA Aleksandrov, GN Vayssilov, Y Wang, F Gao, and J Szanyi. 2018. "Achieving Atomic Dispersion of Highly Loaded Transition Metals in Small-Pore Zeolite SSZ-13: High-Capacity and High-Efficiency Low-Temperature CO and Passive NO_x Adsorbers." Angewandte Chemie-International Edition 57(51):16672-16677. DOI: 10.1002/anie.201809343.

Kim IS, ZY Li, J Zheng, AE Platero-Prats, A Mavrandonakis, S Pellizzeri, M Ferrandon, A Vjunov, LC Gallington, TE Webber, NA Vermeulen, RL Penn, RB Getman, CJ Cramer, KW Chapman, DM Camaioni, JL Fulton, JA Lercher, OK Farha, JT Hupp, and ABF Martinson. 2018. "Sinter-Resistant Platinum Catalyst Supported by Metal-Organic Framework." Angewandte Chemie-International Edition. 57(4):909-13. DOI: 10.1002/anie.201708092.

Klug CM, AJP Cardenas, RM Bullock, M O'Hagan, and ES Wiedner. 2018. "Reversing the Tradeoff between Rate and Overpotential in Molecular Electrocatalysts for H₂ Production." ACS Catalysis. 8(4):3286-96. DOI: 10.1021/ACScatal.7b04379.

Kothandaraman J, RA Dagle, VL Dagle, SD Davidson, ED Walter, SD Burton, DW Hoyt, and DJ Heldebrant. 2018. "Condensed-phase low temperature heterogeneous hydrogenation of CO₂ to methanol." Catalysis Science & Technology 8(19):5098-5103. DOI: 10.1039/c8cy00997j.

Laskin J, GE Johnson, J Warneke, and V Prabhakaran. 2018. "From Isolated Ions to Multilayer Functional Materials Using Ion Soft Landing." Angewandte Chemie-International Edition 57(50):16270-16284. DOI: 10.1002/anie.201712296.

Leclaire J and DJ Heldebrant. 2018. "A call to (green) arms: a rallying cry for green chemistry and engineering for CO₂ capture, utilisation and storage." Green Chemistry 20(22). DOI: 10.1039/c8gc01962b.

Lewis SA, RM Connatser, MV Olarte, and JR Keiser. 2018. "Determining Aromatic and Aliphatic Carboxylic Acids in Biomass-Derived Oil Samples Using 2,4-Dinitrophenylhydrazine and Liquid Chromatography-Electrospray Injection-Mass Spectrometry/Mass Spectrometry." Biomass & Bioenergy. 108:198-206. DOI: 10.1016/j.biombioe.2017.10.043.

Li X, KJ Zhang, MS Wang, Y Liu, MZ Qu, WG Zhao, and JM Zheng. 2018. "Dual Functions of Zirconium Modification on Improving the Electrochemical Performance of Ni-Rich LiNi_0.8Co_0.1Mn_0.1O₂." Sustainable Energy & Fuels. 2(2):413-21. DOI: 10.1039/c7se00513j.

Lilga MA, AB Padmaperuma, DL Auberry, HM Job, and MS Swita. 2018. "Ketonization of Levulinic Acid and Gamma-Valerolactone to Hydrocarbon Fuel Precursors." Catalysis Today. 302:80-86. DOI: 10.1016/j.cattod.2017.06.021.

Lister TE, LA Diaz, MA Lilga, AB Padmaperuma, YP Lin, VM Palalkal, and CG Arges. 2018. "Low-Temperature Electrochemical Upgrading of Bio-Oils Using Polymer Electrolyte Membranes." Energy & Fuels. 32(5):5944-50. DOI: 10.1021/ACS.energyfuels.8b00134.

Liu GX, E Miliordos, SM Ciborowski, M Tschurl, U Boesl, U Heiz, XX Zhang, SS Xantheas, and K Bowen. 2018. "Communication: Water activation and splitting by single metal-atom anions." Journal of Chemical Physics 149(22). DOI: 10.1063/1.5050913.

Liu YS, E Barath, H Shi, JZ Hu, DM Camaioni, and JA Lercher. 2018. "Solvent-Determined Mechanistic Pathways in Zeolite-H-BEA-Catalysed Phenol Alkylation." Nature Catalysis. 1(2):141-47. DOI: 10.1038/s41929-017-0015-z.

Lo BTW, L Ye, CA Murray, CC Tang, DH Mei, and SCE Tsang. 2018. "Monitoring the methanol conversion process in H-ZSM-5 using synchrotron X-ray powder diffraction-mass spectrometry." Journal of Catalysis 365:145-152. DOI: 10.1016/j.jcat.2018.06.027.

Lo BTW, L Ye, GGZ Chang, K Purchase, S Day, CC Tang, D Mei, and SCE Tsang. 2018. "Dynamic modification of pore opening of SAPO-34 by adsorbed surface methoxy species during induction of catalytic methanol-to-olefins reactions." Applied Catalysis B-Environmental 237:245-250. DOI: 10.1016/j.apcatb.2018.05.090.

Lopez-Ruiz JA, U Sanyal, J Egbert, OY Gutierrez, and J Holladay. 2018. "Kinetic Investigation of the Sustainable Electrocatalytic Hydrogenation of Benzaldehyde on Pd/C: Effect of Electrolyte Composition and Half-Cell Potentials." Acs Sustainable Chemistry & Engineering 6(12):16073-16085. DOI: 10.1021/acssuschemeng.8b02637.

Lu JB, XL Wang, JQ Wang, JC Liu, H Xiao, and J Li. 2018. "Efficient Nitrogen Fixation Via a Redox-Flexible Single-Iron Site with Reverse-Dative Iron → Boron σ Bonding." Journal of Physical Chemistry A. 122(18):4530-37. DOI: 10.1021/ACS.jpca.8b02089.

Luo LL, M Su, PF Yan, LF Zou, DK Schreiber, DR Baer, ZH Zhu, GW Zhou, YT Wang, SM Bruemmer, ZJ Xu, and CM Wang. 2018. "Atomic Origins of Water-Vapour-Promoted Alloy Oxidation." Nature Materials. 17(6):514-+. DOI: 10.1038/s41563-018-0078-5.

Luo WQ, H Shi, E Schachtl, OY Gutierrez, and JA Lercher. 2018. "Active Sites on Nickel-Promoted Transition-Metal Sulfides That Catalyze Hydrogenation of Aromatic Compounds." Angewandte Chemie-International Edition 57(44):14555-14559. DOI: 10.1002/anie.201808428.

Lyu S, L Wang, JH Zhang, C Liu, JM Sun, B Peng, Y Wang, KG Rappe, YH Zhang, JL Li, and L Nie. 2018. "Role of Active Phase in Fischer-Tropsch Synthesis: Experimental Evidence of CO Activation over Single-Phase Cobalt Catalysts." Acs Catalysis 8(9):7787-7798. DOI: 10.1021/acscatal.8b00834.

Ma RS, XM Zhang, Y Wang, and X Zhang. 2018. "New Insights Toward Quantitative Relationships between Lignin Reactivity to Monomers and Their Structural Characteristics." Chemsuschem 11(13):2146-2155. DOI: 10.1002/cssc.201800550.

Marrone BL, RE Lacey, DB Anderson, J Bonner, J Coons, T Dale, CM Downes, S Fernando, C Fuller, B Goodall, JE Holladay, K Kadam, D Kalb, W Liu, JB Mott, Z Nikolov, KL Ogden, RT Sayre, BG Trewyn, and JA Olivares. 2018. "Review of the harvesting and extraction program within the National Alliance for Advanced Biofuels and Bioproducts." Algal Research-Biomass Biofuels and Bioproducts 33:470-485. DOI: 10.1016/j.algal.2017.07.015.

Marrone PA, DC Elliott, JM Billing, RT Hallen, TR Hart, P Kadota, JC Moeller, MA Randel, and AJ Schmidt. 2018. "Bench-Scale Evaluation of Hydrothermal Processing Technology for Conversion of Wastewater Solids to Fuels." Water Environment Research. 90(4):329-42. DOI: 10.2175/106143017X15131012152861.

Mozaffarri S, WH Li, C Thompson, S Ivanov, S Seifert, B Lee, L Kovarik, and AM Karim. 2018. "Ligand-Mediated Nucleation and Growth of Palladium Metal Nanoparticles." Jove-Journal of Visualized Experiments (136). DOI: 10.3791/57667.

Muller K, K Brooks, and T Autrey. 2018. "Releasing Hydrogen at High Pressures from Liquid Carriers: Aspects for the H₂ Delivery to Fueling Stations." Energy & Fuels 32(9):10008-10015. DOI: 10.1021/acs.energyfuels.8b01724.

Novotny Z, MT Nguyen, FP Netzer, VA Glezakou, R Rousseau, and Z Dohnalek. 2018. "Formation of Supported Graphene Oxide: Evidence for Enolate Species." Journal of the American Chemical Society. 140(15):5102-09. DOI: 10.1021/jACS.7b12791.

• Research Highlight: Quarterbacking Catalysts by Positioning Atoms

Okolie C, YM Lyu, L Kovarik, E Stavitski, and C Sievers. 2018. "Coupling of Methane to Ethane, Ethylene, and Aromatics over Nickel on Ceria-Zirconia at Low Temperatures." Chemcatchem 10(12):2700-2708. DOI: 10.1002/cctc.201701892.

Onik K, M Gackowski, MA Derewinski, and B Sulikowski. 2018. "Mesoporous Layered Aluminosilicates Prepared from Protozeolitic Nanoclusters: Synthesis and Physicochemical and Catalytic Properties." Journal of Physical Chemistry C 122(45):25983-25991. DOI: 10.1021/acs.jpcc.8b07748.

Oughli AA, A Ruff, NP Boralugodage, P Rodriguez-Macia, N Plumere, W Lubitz, WJ Shaw, W Schuhmann, and O Rudiger. 2018. "Dual Properties of a Hydrogen Oxidation Ni-Catalyst Entrapped within a Polymer Promote Self-Defense against Oxygen." Nature Communications. 9. DOI: 10.1038/s41467-018-03011-7.

Page JP, JW Robinson, KO Albrecht, and L Cosimbescu. 2018. "Synthesis of a Biofuel Target through Conventional Organic Chemistry." Tetrahedron Letters. 59(14):1421-23. DOI: 10.1016/j.tetlet.2018.02.073.

Patel V, M Singh, ELH Mayes, A Martinez, V Shutthanandan, V Bansal, S Singh, and AS Karakoti. 2018. "Ligand-mediated reversal of the oxidation state dependent ROS scavenging and enzyme mimicking activity of ceria nanoparticles." Chemical Communications 54(99):13973-13976. DOI: 10.1039/c8cc08355j.

Peng B, HR Dou, H Shi, EE Ember, and JA Lercher. 2018. "Overcoming Thermodynamic Limitations in Dimethyl Carbonate Synthesis from Methanol and CO₂." Catalysis Letters. 148(7):1914-19. DOI: 10.1007/s10562-018-2402-8.

Peters JW, DN Beratan, B Bothner, RB Dyer, CS Harwood, ZM Heiden, R Hille, AK Jones, PW King, Y Lu, CE Lubner, SD Minteer, DW Mulder, S Raugei, GJ Schut, LC Seefeldt, M Tokmina-Lukaszewska, OA Zadvornyy, P Zhang, and MWW Adams. 2018. "A new era for electron bifurcation." Current Opinion in Chemical Biology 47:32-38. DOI: 10.1016/j.cbpa.2018.07.026.

Petrik NG, RT Mu, A Dahal, ZT Wang, I Lyubinetsky, and GA Kimmel. 2018. "Diffusion and Photon-Stimulated Desorption of CO on TiO₂(110)." Journal of Physical Chemistry C 122(27):15382-15389. DOI: 10.1021/acs.jpcc.8b03418.

Prodinger S, A Vjunov, JZ Hu, JL Fulton, DM Carnaioni, MA Derewinski, and JA Lercher. 2018. "Elementary Steps of Faujasite Formation Followed by in Situ Spectroscopy." Chemistry of Materials. 30(3):888-97. DOI: 10.1021/ACS.chemmater.7b04554.

Prodinger S, H Shi, HM Wang, MA Derewinski, and JA Lercher. 2018. "Impact of structural defects and hydronium ion concentration on the stability of zeolite BEA in aqueous phase." Applied Catalysis B-Environmental 237:996-1002. DOI: 10.1016/j.apcatb.2018.06.065.

Qin ZC, QL Zhuang, XM Cai, YJ He, Y Huang, D Jiang, ED Lin, YL Liu, Y Tang, and MQ Wang. 2018. "Biomass and Biofuels in China: Toward Bioenergy Resource Potentials and Their Impacts on the Environment." Renewable & Sustainable Energy Reviews. 82:2387-400. DOI: 10.1016/j.rser.2017.08.073.

Raugei S, LC Seefeldt, and BM Hoffman. 2018. "Critical computational analysis illuminates the reductive-elimination mechanism that activates nitrogenase for N₂ reduction." Proceedings of the National Academy of Sciences of the United States of America 115(45):E10521-E10530. DOI: 10.1073/pnas.1810211115.

• Research Highlight: Illuminating how nitrogenase makes ammonia

Ren ZB, N Liu, BH Chen, JW Li, and DH Mei. 2018. "Theoretical Investigation of the Structural Stabilities of Ceria Surfaces and Supported Metal Nanocluster in Vapor and Aqueous Phases." Journal of Physical Chemistry C. 122(9):4828-40. DOI: 10.1021/ACS.jpcc.7b10208.

Ren ZB, N Liu, BH Chen, JW Li, and DH Mei. 2018. "Nucleation of Cu_n (n=1-5) Clusters and Equilibrium Morphology of Cu Particles Supported on CeO₂ Surface: A Density Functional Theory Study." Journal of Physical Chemistry C 122(48):27402-27411. DOI: 10.1021/acs.jpcc.8b07993.

Robertson AW, GM Zhu, BL Mehdi, RMJ Jacobs, J De Yoreo, and ND Browning. 2018. "Nanoparticle Immobilization for Controllable Experiments in Liquid-Cell Transmission Electron Microscopy." Acs Applied Materials & Interfaces 10(26):22801-22808. DOI: 10.1021/acsami.8b03688.

Sanwald KE, TF Berto, A Jentys, DM Camaioni, OY Gutierrez, and JA Lercher. 2018. "Kinetic Coupling of Water Splitting and Photoreforming on SrTiO₃-Based Photocatalysts." ACS Catalysis. 8(4):2902-13. DOI: 10.1021/ACScatal.7b03192.

Sanyal U, J Lopez-Ruiz, AB Padmaperuma, J Holladay, and OY Gutierrez. 2018. "Electrocatalytic Hydrogenation of Oxygenated Compounds in Aqueous Phase." Organic Process Research & Development 22(12):1590-1598. DOI: 10.1021/acs.oprd.8b00236.

Seefeldt LC, BM Hoffman, JW Peters, S Raugei, DN Beratan, E Antony, and DR Dean. 2018. "Energy Transduction in Nitrogenase." Accounts of Chemical Research 51(9):2179-2186. DOI: 10.1021/acs.accounts.8b00112.

Seefeldt LC, JW Peters, DN Beratan, B Bothner, SD Minteer, S Raugei, and BM Hoffman. 2018. "Control of electron transfer in nitrogenase." Current Opinion in Chemical Biology 47:54-59. DOI: 10.1016/j.cbpa.2018.08.011.

Shi DC, HM Wang, L Kovarik, F Gao, C Wan, JZ Hu, and Y Wang. 2018. "WO_x supported on γ-Al₂O₃ with different morphologies as model catalysts for alkanol dehydration." Journal of Catalysis 363:1-8. DOI: 10.1016/j.jcat.2018.04.004.

Shi QR, CZ Zhu, D Du, J Wang, HB Xia, MH Engelhard, S Feng, and YH Lin. 2018. "Ultrathin Dendritic IrTe Nanotubes for an Efficient Oxygen Evolution Reaction in a Wide pH Range." Journal of Materials Chemistry A. 6(19):8855-59. DOI: 10.1039/c8ta01288a.

Shi QR, CZ Zhu, H Zhong, D Su, N Li, MH Engelhard, HB Xia, Q Zhang, S Peng, SP Beckman, D Du, and YH Lin. 2018. "Nanovoid Incorporated IrxCu Metallic Aerogels for Oxygen Evolution Reaction Catalysis." Acs Energy Letters 3(9):2038-2044. DOI: 10.1021/acsenergylett.8b01338.

Shi QR, CZ Zhu, MK Tian, D Su, MS Fu, MH Engelhard, I Chowdhury, S Feng, D Du, and YH Lin. 2018. "Ultrafine Pd ensembles anchored-Au₂Cu aerogels boost ethanol electrooxidation." Nano Energy 53:206-212. DOI: 10.1016/j.nanoen.2018.08.047.

Sikaroudi AE, DA Welch, TJ Woehl, R Faller, JE Evans, ND Browning, and C Park. 2018. "Directional Statistics of Preferential Orientations of Two Shapes in Their Aggregate and its A plication to Nanoparticle Aggregation." Technometrics 60(3):332-344. DOI: 10.1080/00401706.2017.1366949.

Singh N, MT Nguyen, DC Cantu, BL Mehdi, ND Browning, JL Fulton, J Zheng, M Balasubramanian, OY Gutierrez, VA Glezakou, R Rousseau, N Govind, DM Camaioni, CT Campbell, and JA Lercher. 2018. "Carbon-supported Pt during aqueous phenol hydrogenation with and without applied electrical potential: X-ray absorption and theoretical studies of structure and adsorbates." Journal of Catalysis 368:8-19. DOI: 10.1016/j.jcat.2018.09.021.

Singh RK, JE Galvin, and X Sun. 2018. "Multiphase flow studies for microscale hydrodynamics in the structured packed column." Chemical Engineering Journal 353:949-963. DOI: 10.1016/j.cej.2018.07.067.

Smith RS, and BD Kay. 2018. "Desorption Kinetics of Benzene and Cyclohexane from a Graphene Surface." Journal of Physical Chemistry B. 122(2):587-94. DOI: 10.1021/ACS.jpcb.7b05102.

Smith RS, NG Petrik, GA Kimmel, and BD Kay. 2018. "Communication: Proton exchange in low temperature co-mixed amorphous H₂O and D₂O films: The effect of the underlying Pt(111) and graphene substrates." Journal of Chemical Physics 149(8). DOI: 10.1063/1.5046530.

Song Y, U Sanyal, D Pangotra, JD Holladay, DM Camaioni, OY Gutierrez, and JA Lercher. 2018. "Hydrogenation of Benzaldehyde Via Electrocatalysis and Thermal Catalysis on Carbon-Supported Metals." Journal of Catalysis. 359:68-75. DOI: 10.1016/j.jcat.2017.12.026.

Stanfill BA, SM Reehl, MC Johnson, ND Browning, BL Mehdi, PC Caragea, and LM Bramer. 2018. "Quantitative Mapping of Nanoscale Chemical Dynamics in Sub-Sampled Operando (S)TEM Images using Spatio-Temporal Analytics." Chemcatchem 10(14):3115-3120. DOI: 10.1002/cctc.201800333.

Stevens A, H Yang, WT Hao, L Jones, C Ophus, PD Nellist, and ND Browning. 2018. "Subsampled STEM-ptychography." Applied Physics Letters 113(3). DOI: 10.1063/1.5040496.

Stevens A, L Luzi, H Yang, L Kovarik, BL Mehdi, A Liyu, ME Gehm, and ND Browning. 2018. "A Sub-Sampled Approach to Extremely Low-Dose STEM." Applied Physics Letters. 112(4). DOI: 10.1063/1.5016192.

Stoerzinger KA, M Favaro, PN Ross, J Yano, Z Liu, Z Hussain, and EJ Crumlin. 2018. "Probing the Surface of Platinum During the Hydrogen Evolution Reaction in Alkaline Electrolyte." Journal of Physical Chemistry B. 122(2):864-70. DOI: 10.1021/ACS.jpcb.7b06953.

Stoerzinger KA, Y Du, K Ihm, KHL Zhang, J Cai, JT Diulus, RT Frederick, GS Herman, EJ Crumlin, and SA Chambers. 2018. "Impact of Sr-Incorporation on Cr Oxidation and Water Dissociation in La_1‑xSr_xCrO₃." Advanced Materials Interfaces. 5(6). DOI: 10.1002/admi.201701363.

Stoerzinger KA, L Wang, YF Ye, M Bowden, EJ Crumlin, YG Du, and SA Chambers. 2018. "Linking surface chemistry to photovoltage in Sr-substituted LaFeO₃ for water oxidation." Journal of Materials Chemistry A 6(44):22170-22178. DOI: 10.1039/c8ta05741a.

Stoerzinger KA, M Favaro, PN Ross, Z Hussain, Z Liu, J Yano, and EJ Crumlin. 2018. "Stabilizing the Meniscus for Operando Characterization of Platinum During the Electrolyte-Consuming Alkaline Oxygen Evolution Reaction." Topics in Catalysis 61(20):2152-2160. DOI: 10.1007/s11244-018-1063-6.

Sun J, DJ Liu, RP Young, AG Cruz, NG Isern, T Schuerg, JR Cort, BA Simmons, and S Singh. 2018. "Solubilization and Upgrading of High Polyethylene Terephthalate Loadings in a Low-Costing Bifunctional Ionic Liquid." Chemsuschem. 11(4):781-92. DOI: 10.1002/cssc.201701798.

Szanyi J, D Mei, T Varga, CHF Peden, I Heo, S Oh, and CH Kim. 2018. "Where Does the Sulphur Go? Deactivation of a Low Temperature CO Oxidation Catalyst by Sulphur Poisoning." Catalysis Letters. 148(5):1445-50. DOI: 10.1007/s10562-018-2343-2.

Taylor SD, J Liu, BW Arey, DK Schreiber, DE Perea, and KM Rosso. 2018. "Resolving Iron(II) Sorption and Oxidative Growth on Hematite (001) Using Atom Probe Tomography." Journal of Physical Chemistry C. 122(7):3903-14. DOI: 10.1021/ACS.jpcc.7b11989.

Terban MW, D Banerjee, S Ghose, B Medasani, A Shukla, BA Legg, YF Zhou, ZH Zhu, ML Sushko, JJ De Yoreo, J Liu, PK Thallapally, and SJL Billinge. 2018. "Early Stage Structural Development of Prototypical Zeolitic Imidazolate Framework (ZIF) in Solution." Nanoscale. 10(9):4291-300. DOI: 10.1039/c7nr07949d.

Tian JS, JH Lin, ML Xu, SL Wan, JD Lin, and Y Wang. 2018. "Hexagonal Boron Nitride Catalyst in a Fixed-Bed Reactor for Exothermic Propane Oxidation Dehydrogenation." Chemical Engineering Science. 186:142-51. DOI: 10.1016/j.ces.2018.04.029.

Tran BL, JL Fulton, JC Linehan, JA Lercher, and RM Bullock. 2018. "Rh(CAAC)-Catalyzed Arene Hydrogenation: Evidence for Nanocatalysis and Sterically Controlled Site-Selective Hydrogenation." Acs Catalysis 8(9):8441-8449. DOI: 10.1021/acscatal.8b02589.

Voss JM, YZ Xiang, G Collinge, DE Perea, L Kovarik, JS McEwen, and N Kruse. 2018. "Characterization of CoCu- and CoMn-Based Catalysts for the Fischer-Tropsch Reaction toward Chain-Lengthened Oxygenates." Topics in Catalysis. 61(9-11):1016-23. DOI: 10.1007/s11244-018-0938-x.

Walter ED, L Qi, A Chamas, HS Mehta, JA Sears, SL Scott, and DW Hoyt. 2018. "Operando MAS NMR Reaction Studies at High Temperatures and Pressures." Journal of Physical Chemistry C. 122(15):8209-15. DOI: 10.1021/ACS.jpcc.7b11442.

Wang AY, YL Wang, ED Walter, RK Kukkadapu, YL Guo, GZ Lu, RS Weber, Y Wang, CHF Peden, and F Gao. 2018. "Catalytic N₂O Decomposition and Reduction by NH₃ over Fe/Beta and Fe/SSZ-13 Catalysts." Journal of Catalysis. 358:199-210. DOI: 10.1016/j.jcat.2017.12.011.

Wang L, KA Stoerzinger, L Chang, JL Zhao, YY Li, CS Tang, XM Yin, ME Bowden, ZZ Yang, HZ Guo, L You, R Guo, J Wang, K Ibrahim, JS Chen, A Rusydi, JL Wang, SA Chambers, and YG Du. 2018. "Tuning Bifunctional Oxygen Electrocatalysts by Changing the A-Site Rare-Earth Element in Perovskite Nickelates." Advanced Functional Materials 28(39). DOI: 10.1002/adfm.201803712.

Wang M, OY Gutierrez, DM Camaioni, and JA Lercher. 2018. "Palladium-Catalyzed Reductive Insertion of Alcohols into Aryl Ether Bonds." Angewandte Chemie-International Edition. 57(14):3747-51. DOI: 10.1002/anie.201709445.

Wang XX, DA Cullen, YT Pan, S Hwang, MY Wang, ZX Feng, JY Wang, MH Engelhard, HG Zhang, YH He, YY Shao, D Su, KL More, JS Spendelow, and G Wu. 2018. "Nitrogen-Coordinated Single Cobalt Atom Catalysts for Oxygen Reduction in Proton Exchange Membrane Fuel Cells." Advanced Materials. 30(11). DOI: 10.1002/adma.201706758.

Weber RS and JE Holladay. 2018. "Modularized Production of Value-Added Products and Fuels from Distributed Waste Carbon-Rich Feedstocks." Engineering 4(3):330-335. DOI: 10.1016/j.eng.2018.05.012.

• Research Highlight: Weber and Holladay Review Chemistry and Costs of Converting Waste to Fuel

Weber RS, JE Holladay, C Jenks, EA Panisko, LJ Snowden-Swan, M Ramirez-Corredores, B Baynes, LT Angenent, and D Boysen. 2018. "Modularized production of fuels and other value-added products from distributed, wasted, or stranded feedstocks." Wiley Interdisciplinary Reviews-Energy and Environment 7(6). DOI: 10.1002/wene.308.

• Research Highlight: Invited Article Reviews the Current State of Fuel Production from Waste Carbon

Wiedner ES and JC Linehan. 2018. "Making a Splash in Homogeneous CO₂ Hydrogenation: Elucidating the Impact of Solvent on Catalytic Mechanisms." Chemistry-a European Journal 24(64):16964-16971. DOI: 10.1002/chem.201801759.

• Research Highlight: Making a Splash: Wiedner and Linehan Review How Liquids Alter Reactions That Store Energy

Wu XP, Y Zhang, X Sun, YP Huang, CL Dai, and MW Zhao. 2018. "A Novel CO₂ and Pressure Responsive Viscoelastic Surfactant Fluid for Fracturing." Fuel. 229:79-87. DOI: 10.1016/j.fuel.2018.04.081.

Xue NH, A Vjunov, S Schallmoser, JL Fulton, M Sanchez-Sanchez, JZ Hu, DH Mei, and JA Lercher. 2018. "Hydrolysis of zeolite framework aluminum and its impact on acid catalyzed alkane reactions." Journal of Catalysis 365:359-366. DOI: 10.1016/j.jcat.2018.07.015.

Yesiltepe Y, JR Nunez, SM Colby, DG Thomas, MI Borkum, PN Reardon, NM Washton, TO Metz, JG Teeguarden, N Govind, and RS Renslow. 2018. "An automated framework for NMR chemical shift calculations of small organic molecules." Journal of Cheminformatics 10. DOI: 10.1186/s13321-018-0305-8.

Yu XY, J Yao, DB Lao, DJ Heldebrant, ZH Zhu, D Malhotra, MT Nguyen, VA Glezakou, and R Rousseau. 2018. "Mesoscopic Structure Facilitates Rapid CO₂ Transport and Reactivity in CO₂ Capture Solvents." Journal of Physical Chemistry Letters 9(19):5765-5771. DOI: 10.1021/acs.jpclett.8b02231.

Yu ZQ, Y Wang, ZC Sun, X Li, AJ Wang, DM Camaioni, and JA Lercher. 2018. "Ni₃P as a High-Performance Catalytic Phase for the Hydrodeoxygenation of Phenolic Compounds." Green Chemistry. 20(3):609-19. DOI: 10.1039/c7gc03262e.

Yu ZQ, Y Wang, S Liu, YL Yao, ZC Sun, X Li, YY Liu, W Wang, AJ Wang, DM Camaioni, and JA Lercher. 2018. "Aqueous Phase Hydrodeoxygenation of Phenol over Ni₃P-CePO₄ Catalysts." Industrial & Engineering Chemistry Research 57(31):10216-10225. DOI: 10.1021/acs.iecr.8b01606.

Yun DM, Y Wang, and JE Herrera. 2018. "Ethanol Partial Oxidation over VO_x/TiO₂ Catalysts: The Role of Titania Surface Oxygen on Vanadia Reoxidation in the Mars-Van Krevelen Mechanism." ACS Catalysis. 8(5):4681-93. DOI: 10.1021/ACScatal.7b03327.

Zhang YY, M Su, XF Yu, YF Zhou, JG Wang, RG Cao, W Xu, CM Wang, DR Baer, O Borodin, K Xu, YT Wang, XL Wang, ZJ Xu, FY Wang, and ZH Zhu. 2018. "Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid Sims." Analytical Chemistry. 90(5):3341-48. DOI: 10.1021/ACS.analchem.7b04921.

Zhao P, L Ye, ZY Sun, BTW Lo, H Woodcock, C Huang, C Tang, AI Kirkland, DH Mei, and SCE Tsang. 2018. "Entrapped Single Tungstate Site in Zeolite for Cooperative Catalysis of Olefin Metathesis with Bronsted Acid Site." Journal of the American Chemical Society. 140(21):6661-67. DOI: 10.1021/jACS.8b03012.

Zhao YJ, ZY Guo, HJ Zhang, B Peng, YX Xu, Y Wang, J Zhang, Y Xu, SP Wang, and XB Ma. 2018. "Hydrogenation of Diesters on Copper Catalyst Anchored on Ordered Hierarchical Porous Silica: Pore Size Effect." Journal of Catalysis. 357:223-37. DOI: 10.1016/j.jcat.2017.11.006.

Zhou JH, YJ Zhao, J Zhang, Y Wang, OY Gutierrez, SNA Wang, ZX Li, P Jin, SP Wang, XB Ma, and JA Lercher. 2018. "A nitrogen-doped PtSn nanocatalyst supported on hollow silica spheres for acetic acid hydrogenation." Chemical Communications 54(64). DOI: 10.1039/c8cc03649g.

Zhu QL, FZ Song, QJ Wang, N Tsumori, Y Himeda, T Autrey, and Q Xu. 2018. "A Solvent-Switched in Situ Confinement Approach for Immobilizing Highly-Active Ultrafine Palladium Nanoparticles: Boosting Catalytic Hydrogen Evolution." Journal of Materials Chemistry A. 6(14):5544-49. DOI: 10.1039/c8ta01093e.

2017

Banerjee D, SK Elsaidi, and PK Thallapally. 2017. "Xe Adsorption and Separation Properties of a Series of Microporous Metal-Organic Frameworks (MOFs) with V-Shaped Linkers." Journal of Materials Chemistry A 5(32):16611-16615. DOI: 10.1039/c7ta02746j

Bermejo-Deval R, RMH Walter, OY Gutierrez, and JA Lercher. 2017. "On the Role of the Alkali Cations on Methanol Thiolation." Catalysis Science & Technology 7(19):4437-4443. DOI: 10.1039/c7cy01255a

Bhattacharya P, DE Prokopchuk, and MT Mock. 2017. "Exploring the Role of Pendant Amines in Transition Metal Complexes for the Reduction of N₂ to Hydrazine and Ammonia." Coordination Chemistry Reviews 334:67-83. DOI: 10.1016/j.ccr.2016.07.005

Bhattacharya P, ZM Heiden, ES Wiedner, S Raugei, NA Piro, WS Kassel, RM Bullock, and MT Mock. 2017. "Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH₃ Complex." Journal of the American Chemical Society 139(8):2916-2919. DOI: 10.1021/jacs.7b00002

Blair SL, AC MacMillan, GT Drozd, AH Goldstein, RK Chu, L Pasa-Tolic, JB Shaw, N Tolic, P Lin, J Laskin, A Laskin, and SA Nizkorodov. 2017. "Molecular Characterization of Organosulfur Compounds in Biodiesel and Diesel Fuel Secondary Organic Aerosol." Environmental Science & Technology 51(1):119-127. DOI: 10.1021/acs.est.6b03304

Boralugodage NP, RJ Arachchige, A Dutta, GW Buchko, and WJ Shaw. 2017. "Evaluating the Role of Acidic, Basic, and Polar Amino Acids and Dipeptides on a Molecular Electrocatalyst for H₂ Oxidation." Catalysis Science & Technology 7(5):1108-1121. DOI: 10.1039/c6cy02579j

Bossola F, XI Pereira-Hernandez, C Evangelisti, Y Wang, and V Dal Santo. 2017. "Investigation of the Promoting Effect of Mn on a Pt/C Catalyst for the Steam and Aqueous Phase Reforming of Glycerol." Journal of Catalysis 349:75-83. DOI: 10.1016/j.jcat.2017.03.002

Brady MP, JR Keiser, DN Leonard, AH Zacher, KJ Bryden, and GD Weatherbee. 2017. "Corrosion of Stainless Steels in the Riser During Co-Processing of Bio-Oils in a Fluid Catalytic Cracking Pilot Plant." Fuel Processing Technology 159:187-199. DOI: 10.1016/j.fuproc.2017.01.041

Bullock RM and GM Chambers. 2017. "Frustration across the Periodic Table: Heterolytic cleavage of dihydrogen by metal complexes." Philosophical Transactions of the Royal Society A-Mathematical Physical and Engineering Sciences 375(2101). DOI: 10.1098/rsta.2017.0002

Bullock RM, AK Das, and AM Appel. 2017. "Surface Immobilization of Molecular Electrocatalysts for Energy Conversion." Chemistry-A European Journal 23(32):7626-7641. DOI: 10.1002/chem.201605066

Burgess SA, AJ Kendall, DR Tyler, JC Linehan, and AM Appel. 2017. "Hydrogenation of CO₂ in Water Using a Bis(diphosphine) Ni-H Complex." ACS Catalysis 7(4):3089-3096. DOI: 10.1021/acscatal.7b00350

• Research Highlight: Converting Carbon Dioxide in Water

Burgess SA, AM Appel, JC Linehan, and ES Wiedner. 2017. "Changing the Mechanism for CO₂ Hydrogenation Using Solvent-Dependent Thermodynamics." Angewandte Chemie-International Edition 56(47):15002-15005. DOI: 10.1002/anie.20170931

• Research Highlight: Change in Surroundings Improves Catalysis

Burgess SA, K Grubel, AM Appel, ES Wiedner, and JC Linehan. 2017. "Hydrogenation of CO₂ at Room Temperature and Low Pressure with a Cobalt Tetraphosphine Catalyst." Inorganic Chemistry 56(14):8580-8589. DOI: 10.1021/acs.inorgchem.7b01391

Butler MC, HS Mehta, Y Chen, PN Reardon, RS Renslow, M Khbeis, D Irish, and KT Mueller. 2017. "Toward High-Resolution NMR Spectroscopy of Microscopic Liquid Samples." Physical Chemistry Chemical Physics 19(22):14256-14261. DOI: 10.1039/c7cp01933e

Cammarota RC, MV Vollmer, J Xie, JY Ye, JC Linehan, SK Burgess, AM Appel, L Gagliardi, and CC Lu. 2017. "A Bimetallic Nickel-Gallium Complex Catalyzes CO₂ Hydrogenation via the Intermediacy of an Anionic d¹⁰ Nickel Hydride." Journal of the American Chemical Society 139(40):14244-14250. DOI: 10.1021/jacs.7b07911

Cantu DC, YG Wang, Y Yoon, VA Glezakou, R Rousseau, and RS Weber. 2017. "Heterogeneous Catalysis in Complex, Condensed Reaction Media." Catalysis Today 289:231-236. DOI: 10.1016/j.cattod.2016.08.025

Chambers SA, TC Droubay, TC Kaspar, IH Nayyar, ME McBriarty, SM Heald, DJ Keavney, ME Bowden, and PV Sushko. 2017. "Electronic and Optical Properties of a Semiconducting Spinel (Fe₂CrO₄)." Advanced Functional Materials 27(9). DOI: 10.1002/adfm.201605040

Chase HM, SL Chen, L Fu, MA Upshur, B Rudshteyn, RJ Thomson, HF Wang, VS Batista, and FM Geiger. 2017. "Orientations of Nonlocal Vibrational Modes from Combined Experimental and Theoretical Sum Frequency Spectroscopy." Chemical Physics Letters 683:199-204. DOI: 10.1016/j.cplett.2017.01.015

Chen JX, JM Sun, and Y Wang. 2017. "Catalysts for Steam Reforming of Bio-oil: A Review." Industrial & Engineering Chemistry Research 56(16):4627-4637. DOI: 10.1021/acs.iecr.7b00600

Chen L, RS Smith, BD Kay, and Z Dohnalek. 2017. "Direct Deoxygenation of Phenylmethanol to Methylbenzene and Benzyl Radicals on Rutile TiO₂(110)." ACS Catalysis 7(3):2002-2006. DOI: 10.1021/acscatal.6b03225

Chen Y, HS Mehta, MC Butler, ED Walter, PN Reardon, RS Renslow, KT Mueller, and NM Washton. 2017. "High-Resolution Microstrip NMR Detectors for Subnanoliter Samples." Physical Chemistry Chemical Physics 19(41):28163-28174. DOI: 10.1039/c7cp03933f

Cheng K, JC Kang, DL King, V Subramanian, C Zhou, QH Zhang, and Y Wang. 2017. "Advances in Catalysis for Syngas Conversion to Hydrocarbons." In Advances in Catalysis, 60(2017):125-208. DOI: 10.1016/bs.acat.2017.09.003.

Childers MI, MT Nguyen, KA Rod, PK Koech, W Um, J Chun, VA Glezakou, D Linn, TJ Roosendaal, TW Wietsma, NJ Huerta, BG Kutchko, and CA Fernandez. 2017. "Polymer-Cement Composites with Self-Healing Ability for Geothermal and Fossil Energy Applications." Chemistry of Materials 29(11):4708-4718. DOI: 10.1021/acs.chemmater.7b00344

Chimentao RJ, BC Miranda, J Szanyi, C Sepulveda, JBO Santos, JVS Correa, J Llorca, and F Medina. 2017. "Sources of Deactivation During Glycerol Conversion on Ni/gamma-Al₂O₃." Molecular Catalysis 435:49-57. DOI: 10.1016/j.mcat.2017.03.023

Dahal A and Z Dohnalek. 2017. "Formation of Metastable Water Chains on Anatase TiO₂(101)." Journal of Physical Chemistry C 121(37):20413-20418. DOI: 10.1021/acs.jpcc.7b08122

Dang LX, GK Schenter, and CD Wick. 2017. "Rate Theory of Ion Pairing at the Water Liquid-Vapor Interface." Journal of Physical Chemistry C 121(18):10018-10026. DOI: 10.1021/acs.jpcc.7b02223

Davidson SD, KA Spies, D Mei, L Kovarik, I Kutnyakov, XHS Li, VL Dagle, KO Albrecht, and RA Dagle. 2017. "Steam Reforming of Acetic Acid over Co-Supported Catalysts: Coupling Ketonization for Greater Stability." ACS Sustainable Chemistry & Engineering 5(10):9136-9149. DOI: 10.1021/acssuschemeng.7b02052

Ditto J, DR Merrill, G Mitchson, JJ Gabriel, K Mathew, RG Hennig, DL Medlin, ND Browning, and DC Johnson. 2017. "Interface-Driven Structural Distortions and Composition Segregation in Two-Dimensional Heterostructures." Angewandte Chemie-International Edition 56(46):14448-14452. DOI: 10.1002/anie.20170727

Dogdibegovic E, NS Alabri, CJ Wright, JS Hardy, CA Coyle, SA Horlick, WB Guan, JW Stevenson, and XD Zhou. 2017. "Activity and Stability of (Pr_1-xNd_x)(2)NiO₄ as Cathodes for Solid Oxide Fuel Cells: Part V. In Situ Studies of Phase Evolution." Journal of the Electrochemical Society 164(12):F1115-F1121. DOI: 10.1149/2.1041707jes

Du L, LL Luo, ZX Feng, M Engelhard, XH Xie, BH Han, JM Sun, JH Zhang, GP Yin, CM Wang, Y Wang, and YY Shao. 2017. "Nitrogen-doped Graphitized Carbon Shell Encapsulated NiFe Nanoparticles: A highly durable oxygen evolution catalyst." Nano Energy 39:245-252. DOI: 10.1016/j.nanoen.2017.07.006

Duan HH, DG Li, Y Tang, Y He, SF Ji, RY Wang, HF Lv, PP Lopes, AP Paulikas, HY Li, SX Mao, CM Wang, NM Markovic, J Li, VR Stamenkovic, and YD Li. 2017. "High-Performance Rh₂P Electrocatalyst for Efficient Water Splitting." Journal of the American Chemical Society 139(15):5494-5502. DOI: 10.1021/jacs.7b01376

Duan WT, JH Huang, JA Kowalski, IA Shkrob, M Vijayakumar, E Walter, BF Pan, Z Yang, JD Milshtein, B Li, C Liao, ZC Zhang, W Wang, J Liu, JS Moore, FR Brushett, L Zhang, and XL Wei. 2017. ""Wine-Dark Sea" in an Organic Flow Battery: Storing Negative Charge in 2,1,3-Benzothiadiazole Radicals Leads to Improved Cyclability." ACS Energy Letters 2(5):1156-1161. DOI: 10.1021/acsenergylett.7b00261

Duignan TT, MD Baer, GK Schenter, and CJ Mundy. 2017. "Electrostatic Solvation Free Energies of Charged Hard Spheres using Molecular Dynamics with Density Functional Theory Interactions." Journal of Chemical Physics 147(16). DOI: 10.1063/1.4994912

Duignan TT, MD Baer, GK Schenter, and CJ Mundy. 2017. "Real Single Ion Solvation Free Energies with Quantum Mechanical Simulation." Chemical Science 8(9):6131-6140. DOI: 10.1039/c7sc02138k

Eckstein S, PH Hintermeier, MV Olarte, Y Liu, E Barath, and JA Lercher. 2017. "Elementary Steps and Reaction Pathways in the Aqueous Phase Alkylation of Phenol with Ethanol." Journal of Catalysis 352:329-336. DOI: 10.1016/j.jcat.2017.06.002

Elliott DC, AJ Schmidt, TR Hart, and JM Billing. 2017. "Conversion of a wet waste feedstock to biocrude by hydrothermal processing in a continuous-flow reactor: grape pomace." Biomass Conversion and Biorefinery 7(4):455-465. DOI: 10.1007/s13399-017-0264-8

Elliott DC, D Meier, A Oasmaa, B Van De Beld, AV Bridgwater, and M Marklund. 2017. "Results of the International Energy Agency Round Robin on Fast Pyrolysis Bio-oil Production." Energy & Fuels 31(5):5111-5119. DOI: 10.1021/acs.energyfuels.6b03502

Elsaidi SK, D Ongari, WQ Xu, MH Mohamed, M Haranczyk, and PK Thallapally. 2017. "Xenon Recovery at Room Temperature using Metal-Organic Frameworks." Chemistry-A European Journal 23(45):10758-10762. DOI: 10.1002/chem.201702668

Elsaidi SK, MA Sinnwell, D Banerjee, A Devaraj, RK Kukkadapu, TC Droubay, Z Nie, L Kovarik, M Vijayakumar, S Manandhar, M Nandasiri, BP McGrail, and PK Thallapally. 2017. "Reduced Magnetism in Core-Shell Magnetite@MOF Composites." Nano Letters 17(11):6968-6973. DOI: 10.1021/acs.nanolett.7b03451

Elsaidi SK, MH Mohamed, CM Simon, E Braun, T Pham, KA Forrest, WQ Xu, D Banerjee, B Space, MJ Zaworotko, and PK Thallapally. 2017. "Effect of Ring Rotation upon Gas Adsorption in SIFSIX-3-M (M = Fe, Ni) Pillared Square Grid Networks." Chemical Science 8(3):2373-2380. DOI: 10.1039/c6sc05012c

Estevez L, V Prabhakaran, AL Garcia, Y Shin, JH Tao, AM Schwarz, J Darsell, P Bhattacharya, V Shutthanandan, and JG Zhang. 2017. "Hierarchically Porous Graphitic Carbon with Simultaneously High Surface Area and Colossal Pore Volume Engineered via Ice Templating." ACS Nano 11(11):11047-11055. DOI: 10.1021/acsnano.7b05085

Foraita S, Y Liu, GL Haller, E Barath, C Zhao, and JA Lercher. 2017. "Controlling Hydrodeoxygenation of Stearic Acid to n-Heptadecane and n-Octadecane by Adjusting the Chemical Properties of Ni/SiO₂-ZrO₂ Catalyst." ChemCatChem 9(1):195-203. DOI: 10.1002/cctc.201601162

Fu SF, CZ Zhu, JH Song, S Feng, D Du, MH Engelhard, DD Xiao, DS Li, and YH Lin. 2017. "Two-Dimensional N,S-Codoped Carbon/Co₉S₈ Catalysts Derived from Co(OH)(2) Nanosheets for Oxygen Reduction Reaction." ACS Applied Materials & Interfaces 9(42):36755-36761. DOI: 10.1021/acsami.7b10227

Fu SF, CZ Zhu, JH Song, MH Engelhard, BW Xiao, D Du, and YH Lin. 2017. "Nitrogen and Fluorine-Codoped Carbon Nanowire Aerogels as Metal-Free Electrocatalysts for Oxygen Reduction Reaction." Chemistry-A European Journal 23(43):10460-10464. DOI: 10.1002/chem.201701969

Fu SF, CZ Zhu, JH Song, MH Engelhard, XL Li, PN Zhang, HB Xia, D Du, and YH Lin. 2017. "Template-Directed Synthesis of Nitrogen-and Sulfur-Codoped Carbon Nanowire Aerogels with Enhanced Electrocatalytic Performance for Oxygen Reduction." Nano Research 10(6):1888-1895. DOI: 10.1007/s12274-016-1371-8

Fu SF, CZ Zhu, JH Song, PN Zhang, MH Engelhard, HB Xia, D Du, and YH Lin. 2017. "Low Pt-Content Ternary PdCuPt Nanodendrites: An Efficient Electrocatalyst for Oxygen Reduction Reaction." Nanoscale 9(3):1279-1284. DOI: 10.1039/c6nr06646a

Galib M, TT Duignan, Y Misteli, MD Baer, GK Schenter, J Hutter, and CJ Mundy. 2017. "Mass Density Fluctuations in Quantum and Classical Descriptions of Liquid Water." Journal of Chemical Physics 146(24). DOI: 10.1063/1.4986284

Gao F, DH Mei, YL Wang, J Szanyi, and CHF Peden. 2017. "Selective Catalytic Reduction over Cu/SSZ-13: Linking Homo- and Heterogeneous Catalysis." Journal of the American Chemical Society 139(13):4935-4942. DOI: 10.1021/jacs.7b01128

Gentil S, N Lalaoui, A Dutta, Y Nedellec, S Cosnier, WJ Shaw, V Artero, and A Le Goff. 2017. "Carbon-Nanotube-Supported Bio-Inspired Nickel Catalyst and Its Integration in Hybrid Hydrogen/Air Fuel Cells." Angewandte Chemie International Edition 56(7):1845-1849. DOI: 10.1002/anie.201611532

Ghosh S, A Andersen, L Gagliardi, CJ Cramer, and N Govind. 2017. "Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians." Journal of Chemical Theory and Computation 13(9):4410-4420. DOI: 10.1021/acs.jctc.7b00618

Goldberg JM, KI Goldberg, DM Heinekey, SA Burgess, DB Lao, and JC Linehan. 2017. "Detection of an Iridium-Dihydrogen Complex: A Proposed Intermediate in Ionic Hydrogenation." Journal of the American Chemical Society 139(36):12638-12646. DOI: 10.1021/jacs.7b06480

Gu M, ZG Wang, CM Wang, and JM Zheng. 2017. "Atomic Scale Study of Surface Orientations and Energies of Ti₂O₃ Crystals." Applied Physics Letters 111(18). DOI: 10.1063/1.500401

Gupta V, X Sun, W Xu, H Sarv, and H Farzan. 2017. "A Discrete Element Method-Based Approach To Predict The Breakage Of Coal." Advanced Powder Technology 28(10):2665-2677. DOI: 10.1016/j.apt.2017.07.019

He J, YJ Zhao, Y Wang, JH Wang, J Zheng, HL Zhang, GW Zhou, CM Wang, SP Wang, and XB Ma. 2017. "A Fe₅C₂ Nanocatalyst for the Preferential Synthesis of Ethanol via Dimethyl Oxalate Hydrogenation." Chemical Communications 53(39):5376-5379. DOI: 10.1039/c7cc01644a

Heldebrant DJ, PK Koech, VA Glezakou, R Rousseau, D Malhotra, and DC Cantu. 2017. "Water-Lean Solvents for Post-Combustion CO₂ Capture: Fundamentals, Uncertainties, Opportunities, and Outlook." Chemical Reviews 117(14):9594-9624. DOI: 10.1021/acs.chemrev.6b00768

Henderson MA and MM Shen. 2017. "Electron-Scavenging Chemistry of Benzoquinone on TiO₂(110)." Topics in Catalysis 60(6-7):440-445. DOI: 10.1007/s11244-016-0707-7

Henske JK, SP Gilmore, D Knop, FJ Cunningham, JA Sexton, CR Smallwood, V Shutthanandan, JE Evans, MK Theodorou, and MA O'Malley. 2017. "Transcriptomic Characterization of Caecomyces Churrovis: A Novel, Non-Rhizoid-Forming Lignocellulolytic Anaerobic Fungus." Biotechnology for Biofuels. 10. DOI: 10.1186/s13068-017-0997-4.

Hintermeier PH, S Eckstein, DH Mei, MV Olarte, DM Camaioni, E Barath, and JA Lercher. 2017. "Hydronium-Ion-Catalyzed Elimination Pathways of Substituted Cyclohexanols in Zeolite H-ZSM5." ACS Catalysis 7(11):7822-7829. DOI: 10.1021/acscatal.7b01582

Holmes ST, S Bai, RJ Iuliucci, KT Mueller, and C Dybowski. 2017. "Calculations of Solid-State ⁴³Ca NMR Parameters: A Comparison of Periodic and Cluster Approaches and an Evaluation of DFT Functionals." Journal of Computational Chemistry 38(13):949-956. DOI: 10.1002/jcc.24763

Hong YC and Y Wang. 2017. "Elucidation of Reaction Mechanism for m-Cresol Hydrodeoxygenation over Fe Based Catalysts: A Kinetic Study." Catalysis Communications 100:43-47. DOI: 10.1016/j.catcom.2017.06.028

Hong YC, SR Zhang, FF Tao, and Y Wang. 2017. "Stabilization of Iron-Based Catalysts against Oxidation: An In Situ Ambient-Pressure X-ray Photoelectron Spectroscopy (AP-XPS) Study." ACS Catalysis 7(5):3639-3643. DOI: 10.1021/acscatal.7b00636

Houghton AY and T Autrey. 2017. "Calorimetric Study of the Activation of Hydrogen by Tris(pentafluorophenyl)borane and Trimesitylphosphine." Journal of Physical Chemistry A 121(46):8785-8790. DOI: 10.1021/acs.jpca.7b08582

Howe DT, D Taasevigen, M Garcia-Perez, AG McDonald, GS Li, and M Wolcott. 2017. "Steam Gasification of a Thermally Pretreated High Lignin Corn Stover Simultaneous Saccharification and Fermentation Digester Residue." Energy 119:400-407. DOI: 10.1016/j.energy.2016.12.094

Hu JZ, C Wan, A Vjunov, M Wang, ZC Zhao, MY Hu, DM Camaioni, and JA Lercher. 2017. "²⁷Al MAS NMR Studies of HBEA Zeolite at Low to High Magnetic Fields." Journal of Physical Chemistry C 121(23):12849-12854. DOI: 10.1021/acs.jpcc.7b03517

Ikuno T, J Zheng, A Vjunov, M Sanchez-Sanchez, MA Ortuno, DR Pahls, JL Fulton, DM Camaioni, ZY Li, D Ray, BL Mehdi, ND Browning, OK Farha, JT Hupp, CJ Cramer, L Gagliardi, and JA Lercher. 2017. "Methane Oxidation to Methanol Catalyzed by Cu-Oxo Clusters Stabilized in NU-1000 Metal-Organic Framework." Journal of the American Chemical Society 139(30):10294-10301. DOI: 10.1021/jacs.7b02936

Jaegers NR, C Wan, MY Hu, M Vasiliu, DA Dixon, E Walter, IE Wachs, Y Wang, and JZ Hu. 2017. "Investigation of Silica-Supported Vanadium Oxide Catalysts by High Field V-51 Magic-Angle Spinning NMR." Journal of Physical Chemistry C 121(11):6246-6254. DOI: 10.1021/acs.jpcc.7b01658

Jarvis JM, JM Billing, RT Hallen, AJ Schmidt, and TM Schaub. 2017. "Hydrothermal Liquefaction Biocrude Compositions Compared to Petroleum Crude and Shale Oil." Energy & Fuels 31(3):2896-2906. DOI: 10.1021/acs.energyfuels.6b03022

Jeletic MS, EB Hulley, ML Helm, MT Mock, AM Appel, ES Wiedner, and JC Linehan. 2017. "Understanding the Relationship Between Kinetics and Thermodynamics in CO₂ Hydrogenation Catalysis." ACS Catalysis 7(9):6008-6017. DOI: 10.1021/acscatal.7b01673

Khadka N, RD Milton, S Shaw, D Lukoyanov, DR Dean, SD Minteer, S Raugei, BM Hoffrnan, and LC Seefeldt. 2017. "Mechanism of Nitrogenase H₂ Formation by Metal-Hydride Protonation Probed by Mediated Electrocatalysis and H/D Isotope Effects." Journal of the American Chemical Society 139(38):13518-13524. DOI: 10.1021/jacs.7b07311

• Research Highlight: The Nitrogenase Nuance

Kim KH, T Dutta, ED Walter, NG Isern, JR Cort, BA Simmons, and S Singh. 2017. "Chemoselective Methylation of Phenolic Hydroxyl Group Prevents Quinone Methide Formation and Repolymerization During Lignin Depolymerization." ACS Sustainable Chemistry & Engineering 5(5):3913-3919. DOI: 10.1021/acssuschemeng.6b03102

Klug CM, M O'Hagan, RM Bullock, AM Appel, and ES Wiedner. 2017. "Impact of Weak Agostic Interactions in Nickel Electrocatalysts for Hydrogen Oxidation." Organometallics 36(12):2275-2284. DOI: 10.1021/acs.organomet.7b00103

Kovarik L, NM Washton, R Kukkadapu, A Devaraj, AY Wang, YL Wang, J Szanyi, CHF Peden, and F Gao. 2017. "Transformation of Active Sites in Fe/SSZ-13 SCR Catalysts during Hydrothermal Aging: A Spectroscopic, Microscopic, and Kinetics Study." ACS Catalysis 7(4):2458-2470. DOI: 10.1021/acscatal.6b03679

Lammers PJ, M Huesemann, W Boeing, DB Anderson, RG Arnold, XM Bai, M Bhole, Y Brhanavan, L Brown, J Brown, JK Brown, S Chisholm, CM Downes, S Fulbright, YF Ge, JE Holladay, B Ketheesan, A Khopkar, A Koushik, P Laur, BL Marrone, JB Mott, N Nirmalakhandan, KL Ogden, RL Parsons, J Polle, RD Ryan, T Samocha, RT Sayre, M Seger, T Selvaratnam, RX Sui, A Thomasson, A Unc, W Van Voorhies, P Waller, Y Yao, and JA Olivares. 2017. "Review of the cultivation program within the National Alliance for Advanced Biofuels and Bioproducts." Algal Research-Biomass Biofuels and Bioproducts 22:166-186. DOI: 10.1016/j.algal.2016.11.021

Lee J, J Szanyi, and JH Kwak. 2017. "Ethanol Dehydration on Gamma-Al₂O₃: Effects of Partial Pressure and Temperature." Molecular Catalysis 434:39-48. DOI: 10.1016/j.mcat.2016.12.013

Li P, NA Vermeulen, CD Malliakas, DA Gomez-Gualdron, AJ Howarth, BL Mehdi, A Dohnalkova, ND Browning, M O'Keeffe, and OK Farha. 2017. "Bottom-Up Construction of a Superstructure in a Porous Uranium-Organic Crystal." Science 356(6338):624-627. DOI: 10.1126/science.aam7851

• Research Highlight: A Duet of Firsts: Imaging Chemical Building Blocks

Li SC, Y Zheng, F Gao, J Szanyi, and WF Schneider. 2017. "Experimental and Computational Interrogation of Fast SCR Mechanism and Active Sites on H-Form SSZ-13." ACS Catalysis 7(8):5087-5096. DOI: 10.1021/acscatal.7b01319

Li WZ, L Kovarik, YW Cheng, L Nie, ME Bowden, J Liu, and Y Wang. 2017. "Stabilization and Transformation of Pt Nanocrystals Supported on ZnAl2O₄ Spinel." RSC Advances 7(6):3282-3286. DOI: 10.1039/c6ra26159k

Li WZ, L Nie, YW Cheng, L Kovarik, J Liu, and Y Wang. 2017. "Surface Enrichment of Pt in Stable Pt-Ir Nano-Alloy Particles on MgAl₂O₄ Spinel in Oxidizing Atmosphere." Catalysis Communications 93:57-61. DOI: 10.1016/j.catcom.2017.01.012

Li ZL, JS Choi, HM Wang, AW Lepore, RMI Connatser, SA Lewis, HM Meyer, DM Santosa, and AH Zacher. 2017. "Sulfur-Tolerant Molybdenum Carbide Catalysts Enabling Low-Temperature Stabilization of Fast Pyrolysis Bio-oil." Energy & Fuels 31(9):9585-9594. DOI: 10.1021/acs.energyfuels.7b01707

Li ZP, XC Yang, N Tsumori, Z Liu, Y Himeda, T Autrey, and Q Xua. 2017. "Tandem Nitrogen Functionalization of Porous Carbon: Toward Immobilizing Highly Active Palladium Nanoclusters for Dehydrogenation of Formic Acid." ACS Catalysis 7(4):2720-2724. DOI: 10.1021/acscatal.7b00053

Liang K, LM Guo, K Marcus, SF Zhang, ZZ Yang, DE Perea, L Zhou, YG Du, and Y Yang. 2017. "Overall Water Splitting with Room-Temperature Synthesized NiFe Oxyfluoride Nanoporous Films." ACS Catalysis 7(12):8406-8412. DOI: 10.1021/acscatal.7b02991

Liang X, N Liu, HY Qiu, C Zhang, DH Mei, and BH Chen. 2017. "Hydrogen Assisted Synthesis of Branched Nickel Nanostructures: A combined theoretical and experimental study." Physical Chemistry Chemical Physics 19(39):26718-26727. DOI: 10.1039/c7cp04673a

Liang X, ZB Ren, XL Zhu, QW Zhang, DH Mei, and BH Chen. 2017. "Competitive Adsorption-Assisted Formation of One-Dimensional Cobalt Nanochains with High CO Hydrogenation Activity." Journal of Physical Chemistry C 121(44):24588-24593. DOI: 10.1021/acs.jpcc.7b07460

Ligare MR, ES Baker, J Laskin, and GE Johnson. 2017. "Ligand Induced Structural Isomerism in Phosphine Coordinated Gold Clusters Revealed by Ion Mobility Mass Spectrometry." Chemical Communications 53(53):7389-7392. DOI: 10.1039/c7cc02251d

• Research Highlight: Emerging Investigators Showcase Chemical Research in Prestigious Journal

Ligare MR, GE Johnson, and J Laskin. 2017. "Observing the Real Time Formation of Phosphine-Ligated Gold Clusters by Electrospray Ionization Mass Spectrometry." Physical Chemistry Chemical Physics 19(26):17187-17198. DOI: 10.1039/c7cp01402c

Liu YS, A Vjunov, H Shi, S Eckstein, DM Camaioni, DH Mei, E Barath, and JA Lercher. 2017. "Enhancing the Catalytic Activity of Hydronium Ions through Constrained Environments." Nature Communications 8. DOI: 10.1038/ncomms14113

• Research Highlight: Meeting the Need for Catalytic Speed

Liu B, M Evans, S Yu, V Roshchanka, S Dukkipati, and A Sreenivas. 2017. "Effective Energy Data Management for Low-Carbon Growth Planning: An Analytical Framework for Assessment." Energy Policy 107:32-42. DOI: 10.1016/j.enpol.2017.03.059

Liu ZX, YT Zhang, CK Jia, H Wan, Z Peng, YJ Bi, Y Liu, ZQ Peng, Q Wang, H Li, DY Wang, and JG Zhang. 2017. "Decomposing Lithium Carbonate with a Mobile Catalyst." Nano Energy 36:390-397. DOI: 10.1016/j.nanoen.2017.04.049

Lopez-Ruiz JA, AR Cooper, GS Li, and KO Albrecht. 2017. "Enhanced Hydrothermal Stability and Catalytic Activity of La_xZr_yO_z Mixed Oxides for the Ketonization of Acetic Acid in the Aqueous Condensed Phase." ACS Catalysis 7(10):6400-6412. DOI: 10.1021/acscatal.7b01071

Lukoyanoy D, N Khadka, DR Dean, S Raugei, LC Seefedt, and BM Hoffman. 2017. "Photoinduced Reductive Elimination of H₂ from the Nitrogenase Dihydride (Janus) State Involves a FeMo-cofactor-H₂ Intermediate." Inorganic Chemistry 56(4):2233-2240. DOI: 10.1021/acs.inorgchem.6b02899

Luo JY, F Gao, K Kamasamudram, N Currier, CHF Peden, and A Yezerets. 2017. "New Insights into Cu/SSZ-13 SCR Catalyst Acidity. Part I: Nature of Acidic Sites Probed by NH₃ Titration." Journal of Catalysis 348:291-299. DOI: 10.1016/j.jcat.2017.02.025

Luo LL, MH Engelhard, YY Shao, and CM Wang. 2017. "Revealing the Dynamics of Platinum Nanoparticle Catalysts on Carbon in Oxygen and Water Using Environmental TEM." ACS Catalysis 7(11):7658-7664. DOI: 10.1021/acscatal.7b0286

Maddi B, E Panisko, T Wietsma, T Lemmon, M Swita, K Albrecht, and D Howe. 2017. "Quantitative Characterization of Aqueous Byproducts from Hydrothermal Liquefaction of Municipal Wastes, Food Industry Wastes, and Biomass Grown on Waste." ACS Sustainable Chemistry & Engineering 5(3):2205-2214. DOI: 10.1021/acssuschemeng.6b02367

Malhotra D, JP Page, ME Bowden, A Karkamkar, DJ Heldebrant, VA Glezakou, R Rousseau, and PK Koech. 2017. "Phase-Change Aminopyridines as Carbon Dioxide Capture Solvents." Industrial & Engineering Chemistry Research 56(26):7534-7540. DOI: 10.1021/acs.iecr.7b00874

Malhotra D, PK Koech, DJ Heldebrant, DC Cantu, F Zheng, VA Glezakou, and R Rousseau. 2017. "Reinventing Design Principles for Developing Low-Viscosity Carbon Dioxide-Binding Organic Liquids for Flue Gas Clean Up." ChemSusChem 10(3):636-642. DOI: 10.1002/cssc.201601622

McBriarty ME, GF von Rudorff, JE Stubbs, PJ Eng, J Blumberger, and KM Rosso. 2017. "Dynamic Stabilization of Metal Oxide-Water Interfaces." Journal of the American Chemical Society 139(7):2581-2584. DOI: 10.1021/jacs.6b13096

Medasani BK, J Liu, and ML Sushko. 2017. "Stable Pt Clusters Anchored to Monovacancies on Graphene Sheets." MRS Communications. 7(4):891-95. DOI: 10.1557/mrc.2017.112.

Mei DH and JA Lercher. 2017. "Mechanistic Insights into Aqueous Phase Propanol Dehydration in H-ZSM-5 Zeolite." AICHE Journal 63(1):172-184. DOI: 10.1002/aic.15517

Mozaffari S, WH Li, C Thompson, S Ivanov, S Seifert, B Lee, L Kovarik, and AM Karim. 2017. "Colloidal Nanoparticle Size Control: Experimental and kinetic modeling investigation of the ligand-metal binding role in controlling the nucleation and growth kinetics." Nanoscale 9(36):13772-13785. DOI: 10.1039/c7nr04101b

Mu RT, A Dahal, ZT Wang, Z Dohnalek, GA Kimmel, NG Petrik, and I Lyubinetsky. 2017. "Adsorption and Photodesorption of CO from Charged Point Defects on TiO₂(110)." Journal of Physical Chemistry Letters 8(18):4565-4572. DOI: 10.1021/acs.jpclett.7b02052

Muller K, K Brooks, and T Autrey. 2017. "Hydrogen Storage in Formic Acid: A Comparison of Process Options." Energy & Fuels 31(11):12603-12611. DOI: 10.1021/acs.energyfuels.7b02997

Nair RN, JJ Rosnow, TA Murphree, ME Bowden, SR Lindemann, and AT Wright. 2017. "De Novo Synthesis of Alkyne Substituted Tryptophans as Chemical Probes for Protein Profiling Studies." Organic Chemistry Frontiers 4(4):495-499. DOI: 10.1039/c6qo00819d

Nandi S, S Collins, D Chakraborty, D Banerjee, PK Thallapally, TK Woo, and R Vaidhyanathan. 2017. "Ultralow Parasitic Energy for Postcombustion CO₂ Capture Realized in a Nickel lsonicotinate Metal-Organic Framework with Excellent Moisture Stability." Journal of the American Chemical Society 139(5):1734-1737. DOI: 10.1021/jacs.6b10455

Nguyen MT, RT Mu, DC Cantu, I Lyubinetsky, VA Glezakou, Z Dohnalek, and R Rousseau. 2017. "Dynamics, Stability, and Adsorption States of Water on Oxidized RuO₂(110)." Journal of Physical Chemistry C 121(34):18505-18515. DOI: 10.1021/acs.jpcc.7b03280

Okolie C, YF Belhseine, YM Lyu, MM Yung, MH Engelhard, L Kovarik, E Stavitski, and C Sievers. 2017. "Conversion of Methane into Methanol and Ethanol over Nickel Oxide on Ceria-Zirconia Catalysts in a Single Reactor." Angewandte Chemie-International Edition 56(44):13876-13881. DOI: 10.1002/anie.20170470

Olarte MV, AB Padmaperuma, JR Ferrell, ED Christensen, RT Hallen, RB Lucke, SD Burton, TL Lemmon, MS Swita, G Fioroni, DC Elliott, and C Drennan. 2017. "Characterization of Upgraded Fast Pyrolysis Oak Oil Distillate Fractions from Sulfided and Non-Sulfided Catalytic Hydrotreating." Fuel 202:620-630. DOI: 10.1016/j.fuel.2017.03.051

Ong PV, LE Johnson, H Hosono, and PV Sushko. 2017. "Structure and Stability of CaH₂ Surfaces: On the Possibility of Electron-Rich Surfaces in Metal Hydrides for Catalysis." Journal of Materials Chemistry A 5(11):5550-5558. DOI: 10.1039/c6ta09561e

Peroni M, I Lee, X Huang, E Barath, OY Gutierrez, and JA Lercher. 2017. "Deoxygenation of Palmitic Acid on Unsupported Transition-Metal Phosphides." ACS Catalysis 7(9):6331-6341. DOI: 10.1021/acscatal.7b01294

Platero-Prats AE, AB League, V Bernales, JY Ye, LC Gallington, A Vjunov, NM Schweitzer, ZY Li, J Zheng, BL Mehdi, AJ Stevens, A Dohnalkova, M Balasubramanian, OK Farha, JT Hupp, ND Browning, JL Fulton, DM Camaioni, JA Lercher, DG Truhlar, L Gagliardi, CJ Cramer, and KW Chapman. 2017. "Bridging Zirconia Nodes within a Metal-Organic Framework via Catalytic Ni-Hydroxo Clusters to Form Heterobimetallic Nanowires." Journal of the American Chemical Society 139(30):10410-10418. DOI: 10.1021/jacs.7b04997

Prodinger S, H Shi, S Eckstein, JZ Hu, MV Olarte, DM Camaioni, MA Derewinski, and JA Lercher. 2017. "Stability of Zeolites in Aqueous Phase Reactions." Chemistry of Materials 29(17):7255-7262. DOI: 10.1021/acs.chemmater.7b01847

Prodinger S, MA Derewinski, YL Wang, NM Washton, ED Walter, J Szanyi, F Gao, Y Wang, and CHF Peden. 2017. "Sub-Micron Cu/SSZ-13: Synthesis and Application As Selective Catalytic Reduction (SCR) Catalysts." Applied Catalysis B-Environmental 201:461-469. DOI: 10.1016/j.apcatb.2016.08.053

Prokopchuk DE, ES Wiedner, ED Walter, CV Popescu, NA Piro, WS Kassel, RM Bullock, and MT Mock. 2017. "Catalytic N₂ Reduction to Silylamines and Thermodynamics of N₂ Binding at Square Planar Fe." Journal of the American Chemical Society 139(27):9291-9301. DOI: 10.1021/jacs.7b04552

Qi L, R Alamillo, WA Elliott, A Andersen, DW Hoyt, ED Walter, KS Han, NM Washton, RM Rioux, JA Dumesic, and SL Scott. 2017. "Operando Solid-State NMR Observation of Solvent-Mediated Adsorption-Reaction of Carbohydrates in Zeolites." ACS Catalysis 7(5):3489-3500. DOI: 10.1021/acscatal.7b01045

Quiñones R, D Shoup, G Behnke, C Peck, S Agarwal, RK Gupta, JW Fagan, KT Mueller, RJ Iuliucci, and Q Wang. 2017. "Study of Perfluorophosphonic Acid Surface Modifications on Zinc Oxide Nanoparticles." Materials. 10(12). DOI: 10.3390/ma10121363.

Ramos M, F Galindo-Hernandez, I Arslan, T Sanders, and JM Dominguez. 2017. "Electron Tomography and Fractal Aspects of MoS₂ and MoS₂/Co Spheres." Scientific Reports 7. DOI: 10.1038/s41598-017-12029-8

Ren ZB, F Peng, BH Chen, DH Mei, and JW Li. 2017. "A Combined Experimental and Computational Study of Water-Gas Shift Reaction over Rod-Shaped Ce_0.75M_0.25O₂ (M = Ti, Zr, and Mn) Supported Cu Catalysts." International Journal of Hydrogen Energy. 42(51):30086-97. DOI: 10.1016/j.ijhydene.2017.10.047.

Resende KA, CE Hori, FB Noronha, H Shi, OY Gutierrez, DM Camaioni, and JA Lercher. 2017. "Aqueous phase hydrogenation of phenol catalyzed by Pd and PdAg on ZrO₂." Applied Catalysis a-General 548:128-135. DOI: 10.1016/j.apcata.2017.08.00

Rimoldi M, V Bernales, J Borycz, A Vjunov, LC Gallington, AE Platero-Prats, IS Kim, JL Fulton, ABF Martinson, JA Lercher, KW Chapman, CJ Cramer, L Gagliardi, JT Hupp, and OK Farha. 2017. "Atomic Layer Deposition in a Metal-Organic Framework: Synthesis, Characterization, and Performance of a Solid Acid." Chemistry of Materials 29(3):1058-1068. DOI: 10.1021/acs.chemmater.6b03880

Roy S, MD Baer, CJ Mundy, and GK Schenter. 2017. "Marcus Theory of Ion-Pairing." Journal of Chemical Theory and Computation 13(8):3470-3477. DOI: 10.1021/acs.jctc.7b00332

Sanders T, and I Arslan. 2017. "Improved Three-Dimensional (3D) Resolution of Electron Tomograms Using Robust Mathematical Data-Processing Techniques." Microscopy and Microanalysis. 23(6):1121-29. DOI: 10.1017/S1431927617012636.

Sanwald KE, TF Berto, W Eisenreich, A Jentys, OY Gutierrez, and JA Lercher. 2017. "Overcoming the Rate-Limiting Reaction during Photoreforming of Sugar Aldoses for H₂-Generation." ACS Catalysis 7(5):3236-3244. DOI: 10.1021/acscatal.7b00508

Schachtl E, JS Yoo, OY Gutierrez, F Studt, and JA Lercher. 2017. "Impact of Ni Promotion on the Hydrogenation Pathways of Phenanthrene on MoS₂/Gamma-Al₂O₃." Journal of Catalysis 352:171-181. DOI: 10.1016/j.jcat.2017.05.003

Shan B, BD Sherman, CM Klug, A Nayak, SL Marquard, Q Liu, RM Bullock, and TJ Meyer. 2017. "Modulating Hole Transport in Multilayered Photocathodes with Derivatized p-Type Nickel Oxide and Molecular Assemblies for Solar-Driven Water Splitting." Journal of Physical Chemistry Letters 8(18):4374-4379. DOI: 10.1021/acs.jpclett.7b01911

Shi H, S Eckstein, A Vjunov, DM Camaioni, and JA Lercher. 2017. "Tailoring Nanoscopic Confines to Maximize Catalytic Activity Of Hydronium Ions." Nature Communications 8. DOI: 10.1038/ncomms15442

Shi QR, CZ Zhu, CX Bi, HB Xia, MH Engelhard, D Du, and YH Lin. 2017. "Intermetallic Pd₃Pb nanowire networks boost ethanol oxidation and oxygen reduction reactions with significantly improved methanol tolerance." Journal of Materials Chemistry A 5(45):23952-23959. DOI: 10.1039/c7ta08407b

Shi QR, CZ Zhu, D Du, CX Bi, HB Xia, S Feng, MH Engelhard, and YH Lin. 2017. "Kinetically Controlled Synthesis of AuPt bi-metallic Aerogels and Their Enhanced Electrocatalytic Performances." Journal of Materials Chemistry A 5(37):19626-19631. DOI: 10.1039/C7TA06375J

Shi QR, CZ Zhu, MH Engelhard, D Du, and YH Lin. 2017. "Highly Uniform Distribution of Pt Nanoparticles on N-Doped Hollow Carbon Spheres with Enhanced Durability for Oxygen Reduction Reaction." RSC Advances 7(11):6303-6308. DOI: 10.1039/c6ra25391a

Song CH, YY Chu, M Wang, H Shi, L Zhao, XF Guo, WM Yang, JY Shen, NH Xue, LM Peng, and WP Ding. 2017. "Cooperativity of Adjacent Bronsted Acid Sites in MFI Zeolite Channel Leads to Enhanced Polarization and Cracking of Alkanes." Journal of Catalysis 349:163-174. DOI: 10.1016/j.jcat.2016.12.024

Song J, YL Wang, ED Walter, NM Washton, DH Mei, L Kovarik, MH Engelhard, S Prodinger, Y Wang, CHF Peden, and F Gao. 2017. "Toward Rational Design of Cu/SSZ-13 Selective Catalytic Reduction Catalysts: Implications from Atomic-Level Understanding of Hydrothermal Stability." ACS Catalysis 7(12):8214-8227. DOI: 10.1021/acscatal.7b03020

Song JH, CZ Zhu, BZ Xu, SF Fu, MH Engelhard, RF Ye, D Du, SP Beckman, and YH Lin. 2017. "Bimetallic Cobalt-Based Phosphide Zeolitic Imidazolate Framework: CoPx Phase-Dependent Electrical Conductivity and Hydrogen Atom Adsorption Energy for Efficient Overall Water Splitting." Advanced Energy Materials 7(2). DOI: 10.1002/aenm.201601555

Spies KA, JE Rainbolt, XHS Li, B Braunberger, LY Li, DL King, and RA Dagle. 2017. "Warm Cleanup of Coal-Derived Syngas: Multicontaminant Removal Process Demonstration." Energy & Fuels 31(3):2448-2456. DOI: 10.1021/acs.energyfuels.6b02568

Stankovikj F, AG McDonald, GL Helms, MV Olarte, and M Garcia-Perez. 2017. "Characterization of the Water-Soluble Fraction of Woody Biomass Pyrolysis Oils." Energy & Fuels 31(2):1650-1664. DOI: 10.1021/acs.energyfuels.6b02950

Stankovikj F, CC Tran, S Kaliaguine, MV Olarte, and M Garcia-Perez. 2017. "Evolution of Functional Groups during Pyrolysis Oil Upgrading." Energy & Fuels 31(8):8300-8316. DOI: 10.1021/acs.energyfuels.7b01251

Stoerzinger KA, R Comes, SR Spurgeon, S Thevuthasan, K Ihm, EJ Crumlin, and SA Chambers. 2017. "Influence of LaFeO₃ Surface Termination on Water Reactivity." Journal of Physical Chemistry Letters 8(5):1038-1043. DOI: 10.1021/acs.jpclett.7b00195

Sui X, YF Zhou, F Zhang, JM Chen, ZH Zhu, and XY Yu. 2017. "Deciphering the Aqueous Chemistry of Glyoxal Oxidation with Hydrogen Peroxide Using Molecular Imaging." Physical Chemistry Chemical Physics 19(31):20357-20366. DOI: 10.1039/c7cp02071f

Tan ECD, LJ Snowden-Swan, M Talmadge, A Dutta, S Jones, KK Ramasamy, M Gray, R Dagle, A Padmaperuma, M Gerber, AH Sahir, L Tao, and YA Zhang. 2017. "Comparative Techno-Economic Analysis and Process Design for Indirect Liquefaction Pathways to Distillate-Range Fuels via Biomass-Derived Oxygenated Intermediates Upgrading." Biofuels Bioproducts & Biorefining-Biofpr 11(1):41-66. DOI: 10.1002/bbb.1710

Taylor AK, DS Perez, X Zhang, BK Pilapil, MH Engelhard, BD Gates, and DA Rider. 2017. "Block Copolymer Templated Synthesis of PtIr Bimetallic Nanocatalysts for the Formic Acid Oxidation Reaction." Journal of Materials Chemistry A 5(40):21514-21527. DOI: 10.1039/c7ta06458f

Unkefer CJ, RT Sayre, JK Magnuson, DB Anderson, I Baxter, IK Blaby, JK Brown, M Carleton, RA Cattolico, T Dale, TP Devarenne, CM Downes, SK Dutcher, DT Fox, U Goodenough, J Jaworski, JE Holladay, DM Kramer, AT Koppisch, MS Lipton, BL Marrone, M McCormick, I Molnar, JB Mott, KL Ogden, EA Panisko, M Pellegrini, J Polle, JW Richardson, M Sabarsky, SR Starkenburg, GD Stormo, M Teshima, SN Twary, PJ Unkefer, JS Yuan, and JA Olivares. 2017. "Review of the Algal Biology Program within the National Alliance for Advanced Biofuels and Bioproducts." Algal Research-Biomass Biofuels and Bioproducts 22:187-215. DOI: 10.1016/j.algal.2016.06.002

Vjunov A, M Wang, N Govind, T Huthwelker, H Shi, DH Mei, JL Fulton, and JA Lercher. 2017. "Tracking the Chemical Transformations at the Bronsted Acid Site upon Water-Induced Deprotonation in a Zeolite Pore." Chemistry of Materials 29(21):9030-9042. DOI: 10.1021/acs.chemmater.7b02133

von Rudorff GF, R Jakobsen, KM Rosso, and J Blumberger. 2017. "Improving the Performance of Hybrid Functional-Based Molecular Dynamics Simulation through Screening of Hartree-Fock Exchange Forces." Journal of Chemical Theory and Computation 13(5):2178-2184. DOI: 10.1021/acs.jctc.6b01121

Wagenhofer MF, E Barath, OY Gutierrez, and JA Lercher. 2017. "Carbon-Carbon Bond Scission Pathways in the Deoxygenation of Fatty Acids on Transition-Metal Sulfides." ACS Catalysis 7(2):1068-1076. DOI: 10.1021/acscatal.6b02753

Wang AY, B Lin, HL Zhang, MH Engelhard, YL Guo, GZ Lu, CHF Peden, and F Gao. 2017. "Ambient Temperature NO Oxidation over Cr-based Amorphous Mixed Oxide Catalysts: Effects from the Second Oxide Components." Catalysis Science & Technology 7(11):2362-2370. DOI: 10.1039/c7cy00490g

Wang AY, YL Guo, F Gao, and CHF Peden. 2017. "Ambient-Temperature NO Oxidation over Amorphous CrO_x-ZrO₂ Mixed Oxide Catalysts: Significant Promoting Effect of ZrO₂." Applied Catalysis B-Environmental 202:706-714. DOI: 10.1016/j.apcatb.2016.02.045

Wang C, J Bao, WX Pan, and X Sun. 2017. "Modeling Electrokinetics in Ionic Liquids." Electrophoresis 38(13-14):1693-1705. DOI: 10.1002/elps.201600455

Wang C, ZJ Xu, CH Lai, G Whyatt, P Marcy, and X Sun. 2017. "Hierarchical Calibration and Validation for Modeling Bench-scale Solvent-based Carbon Capture. Part 1: Non-reactive physical mass transfer across the wetted wall column." Greenhouse Gases-Science and Technology 7(4):706-720. DOI: 10.1002/ghg.1682

Wang DG, MV Sheridan, B Shan, BH Famum, SL Marquard, BD Sherman, MS Eberhart, A Nayak, CJ Dares, AK Das, RM Bullock, and TJ Meyer. 2017. "Layer-by-Layer Molecular Assemblies for Dye-Sensitized Photoelectrosynthesis Cells Prepared by Atomic Layer Deposition." Journal of the American Chemical Society 139(41):14518-14525. DOI: 10.1021/jacs.7b07216

Wang HL, H Ruan, MQ Feng, YL Qin, H Job, LL Luo, CM Wang, MH Engelhard, E Kuhn, XW Chen, MP Tucker, and B Yang. 2017. "One-Pot Process for Hydrodeoxygenation of Lignin to Alkanes Using Ru-Based Bimetallic and Bifunctional Catalysts Supported on Zeolite Y." Chemsuschem 10(8):1846-1856. DOI: 10.1002/cssc.201700160

Wang M, H Shi, DM Camaioni, and JA Lercher. 2017. "Palladium-Catalyzed Hydrolytic Cleavage of Aromatic C-O Bonds." Angewandte Chemie-International Edition 56(8):2110-2114. DOI: 10.1002/anie.201611076

• Research Highlight: Palladium Catalyst Charters A New Path

Wang X, H Shi, and J Szanyi. 2017. "Controlling Selectivities in CO₂ Reduction through Mechanistic Understanding." Nature Communications 8:513. DOI: 10.1038/s41467-017-00558-9

• Research Highlight: The Pivotal Step in Turning Carbon Dioxide

Wang ZT, YG Wang, R Mu, YH Yoon, A Dahal, GK Schenter, VA Glezakou, R Rousseau, I Lyubinetsky, and Z Dohnalek. 2017. "Probing Equilibrium of Molecular and Deprotonated Water on TiO₂(110)." Proceedings of the National Academy of Sciences USA 114(8):1801-1805. DOI: 10.1073/pnas.1613756114

• Research Highlight: Tipping Water: Finding the Balance Between Keeping Molecules Whole or Splitting Them on Oxides

Wang ZY, YY Zhang, BW Liu, K Wu, S Thevuthasan, DR Baer, ZH Zhu, XY Yu, and FY Wang. 2017. "In Situ Mass Spectrometric Monitoring of the Dynamic Electrochemical Process at the Electrode-Electrolyte Interface: A SIMS Approach." Analytical Chemistry 89(1):960-965. DOI: 10.1021/acs.analchem.6b04189

Whyatt GK, A Zwoster, F Zheng, RJ Perry, BR Wood, I Spiry, CJ Freeman, and DJ Heldebrant. 2017. "Measuring CO₂ and N₂O Mass Transfer into GAP-1 CO₂-Capture Solvents at Varied Water Loadings." Industrial & Engineering Chemistry Research 56(16):4830-4836. DOI: 10.1021/acs.iecr.7b00193

Xiong HF, S Lin, J Goetze, P Pletcher, H Guo, L Kovarik, K Artyushkova, BM Weckhuysen, and AK Datye. 2017. "Thermally Stable and Regenerable Platinum-Tin Clusters for Propane Dehydrogenation Prepared by Atom Trapping on Ceria." Angewandte Chemie International Edition 56(31):8986-8991. DOI: 10.1002/anie.201701115

Xu CQ, MS Lee, YG Wang, DC Cantu, J Li, VA Glezakou, and R Rousseau. 2017. "Structural Rearrangement of Au-Pd Nanoparticles under Reaction Conditions: An ab Initio Molecular Dynamics Study." ACS Nano 11(2):1649-1658. DOI: 10.1021/acsnano.6b07409

Xu J, ESM Blaakrneer, AS Lipton, TM McDonald, YM Liu, B Smit, JR Long, APM Kentgens, and JA Reimert. 2017. "Uncovering the Local Magnesium Environment in the Metal-Organic Framework Mg₂(dobpdc) Using ²⁵Mg NMR Spectroscopy." Journal of Physical Chemistry C 121(36):19938-19945. DOI: 10.1021/acs.jpcc.7b07809

Yao J, DB Lao, X Sui, YF Zhou, SK Nune, X Ma, TP Troy, M Ahmed, ZH Zhu, DJ Heldebrant, and XY Yu. 2017. "Two Coexisting Liquid Phases in Switchable Ionic Liquids." Physical Chemistry Chemical Physics 19(34):22627-22632. DOI: 10.1039/c7cp03754f

Zhang HG, S Hwang, MY Wang, ZX Feng, S Karakalos, LL Luo, Z Qiao, XH Xie, CM Wang, D Su, YY Shao, and G Wu. 2017. "Single Atomic Iron Catalysts for Oxygen Reduction in Acidic Media: Particle Size Control and Thermal Activation." Journal of the American Chemical Society 139(40):14143-14149. DOI: 10.1021/jacs.7b06514

Zhang LB, L Fu, HF Wang, and B Yang. 2017. "Discovery of Cellulose Surface Layer Conformation by Nonlinear Vibrational Spectroscopy." Scientific Reports 7:44319. DOI: 10.1038/srep44319

Zhang SG, AM Appel, and RM Bullock. 2017. "Reversible Heterolytic Cleavage of the H-H Bond by Molybdenum Complexes: Controlling the Dynamics of Exchange Between Proton and Hydride." Journal of the American Chemical Society 139(21):7376-7387. DOI: 10.1021/jacs.7b03053

• Research Higlight: A Molecule Made to be Broken

Zhang Y, JR Rouxel, J Autschbach, N Govind, and S Mukamel. 2017. "X-ray Circular Dichroism Signals: A Unique Probe of Local Molecular Chirality." Chemical Science 8(9):5969-5978. DOI: 10.1039/c7sc01347g

Zhao ZC, H Shi, C Wan, MY Hu, YS Liu, DH Mei, DM Camaioni, JZ Hu, and JA Lercher. 2017. "Mechanism of Phenol Alkylation in Zeolite H-BEA Using In Situ Solid-State NMR Spectroscopy." Journal of the American Chemical Society 139(27):9178-9185. DOI: 10.1021/jacs.7b02153

• Research Highlight: Getting the Catalytic Details

Zheng J, XL Chen, X Zhong, SQ Li, TZ Liu, GL Zhuang, XN Li, SW Deng, DH Mei, and JG Wang. 2017. "Hierarchical Porous NC@CuCo Nitride Nanosheet Networks: Highly Efficient Bifunctional Electrocatalyst for Overall Water Splitting and Selective Electrooxidation of Benzyl Alcohol." Advanced Functional Materials 27(46). DOI: 10.1002/adfm.20170416

Zheng Y, L Kovarik, MH Engelhard, YL Wang, Y Wang, F Gao, and J Szanyi. 2017. "Low-Temperature Pd/Zeolite Passive NOx, Adsorbers: Structure, Performance, and Adsorption Chemistry." Journal of Physical Chemistry C 121(29):15793-15803. DOI: 10.1021/acs.jpcc.7b04312

Zhu CZ, SF Fu, BZ Xu, JH Song, QR Shi, MH Engelhard, XL Li, SP Beckman, JM Sun, D Du, and YH Lin. 2017. "Sugar Blowing-Induced Porous Cobalt Phosphide/Nitrogen-doped Carbon Nanostructures with Enhanced Electrochemical Oxidation Performance toward Water and Other Small Molecules." Small 13(33). DOI: 10.1002/smll.201700796

Zhu CZ, SF Fu, JH Song, QR Shi, D Su, MH Engelhard, XL Li, DD Xiao, DS Li, L Estevez, D Du, and YH Lin. 2017. "Self-Assembled Fe-N-Doped Carbon Nanotube Aerogels with Single-Atom Catalyst Feature as High-Efficiency Oxygen Reduction Electrocatalysts." Small 13(15). DOI: 10.1002/smll.201603407

2016

Agblevor FA, DC Elliott, DM Santosa, MV Olarte, SD Burton, M Swita, SH Beis, K Christian, and B Sargent. 2016. "Red Mud Catalytic Pyrolysis of Pinyon Juniper and Single-Stage Hydrotreatment of Oils." Energy & Fuels 30(10):7947-7958. DOI: 10.1021/acs.energyfuels.6b00925

Alexopoulos K, M-S Lee, Y Liu, Y Zhi, Y Liu, MF Reyniers, GB Marin, VA Glezakou, R Rousseau and JA Lercher. 2016. "Anharmonicity and Confinement in Zeolites: Structure, Spectroscopy, and Adsorption Free Energy of Ethanol in H-ZSM-5." The Journal of Physical Chemistry C 120(13):7172-7182. DOI: 10.1021/acs.jpcc.6b00923

Asthagiri A, DA Dixon, Z Dohnálek, BD Kay, JA Rodriguez, R Rousseau, DJ Stacchiola and JF Weaver. 2016. "Catalytic Chemistry on Oxide Nanostructures." In Oxide Materials at the Two-Dimensional Limit, pp. 251-280. Eds: FP Netzer and A Fortunelli. Springer International Publishing, Cham. DOI: 10.1007/978-3-319-28332-6_9

Baer DR, YCA Wang, and DG Castner. 2016. "Use of XPS to Quantify Thickness of Coatings on Nanoparticles." Microscopy Today 24(2):40-45. DOI: 10.1017/S1551929516000109

Baer DR. 2016. "Introduction to Special Issue on Advances and Applications of Surface Analysis Methods." Microscopy Today 24(2):12-15. DOI: 10.1017/s1551929515001340

Baylon RAL, J Sun, KJ Martin, P Venkitasubramanian and Y Wang. 2016. "Beyond Ketonization: Selective Conversion of Carboxylic Acids to Olefins over Balanced Lewis Acid-Base Pairs." Chemical Communications 52(28):4975-4978. DOI: 10.1039/C5CC10528E

Baylon RAL, JM Sun, and Y Wang. 2016. "Conversion of Ethanol to 1,3-Butadiene over Na Doped Zn_xZr_yO_z Mixed Metal Oxides." Catalysis Today 259:446-452. DOI: 10.1016/j.cattod.2015.04.010

Behboodi S, DP Chassin, C Crawford, and N Djilali. 2016. "Renewable Energy Resources Portfolio Optimization in the Presence of Demand Response." Applied Energy 162:139-148. DOI: 10.1016/j.apenergy.2015.10.074

Belsey NA, DJH Cant, C Minelli, JR Araujo, B Bock, P Bruner, DG Castner, G Ceccone, JDP Counsell, PM Dietrich, MH Engelhard, S Fearn, CE Galhardo, H Kalbe, JW Kim, L Lartundo-Rojas, HS Luftman, TS Nunney, J Pseiner, EF Smith, V Spampinato, JM Sturm, AG Thomas, JPW Treaty, L Veith, M Wagstaffe, H Wang, ML Wang, YC Wang, W Werner, L Yang, and AG Shard. 2016. "Versailles Project on Advanced Materials and Standards Interlaboratory Study on Measuring the Thickness and Chemistry of Nanoparticle Coatings Using XPS and LEIS." Journal of Physical Chemistry C 120(42):24070-24079. DOI: 10.1021/acs.jpcc.6b06713

Berto TF, KE Sanwald, JP Byers, ND Browning, OY Gutierrez, and JA Lercher. 2016. "Enabling Overall Water Splitting on Photocatalysts by CO-Covered Noble Metal Co-catalysts." Journal of Physical Chemistry Letters 7(21):4358-4362. DOI: 10.1021/acs.jpclett.6b02151

Bligaard T, RM Bullock, CT Campbell, JG Chen, BC Gates, RJ Gorte, CW Jones, WD Jones, JR Kitchin and SL Scott. 2016. "Toward Benchmarking in Catalysis Science: Best Practices, Challenges, and Opportunities." ACS Catalysis 6(4):2590-2602. DOI: 10.1021/acscatal.6b00183

Brooks KP, ME Bowden, AJ Karkamkar, AY Houghton, and T Autrey. 2016. "Coupling of Exothermic and Endothermic Hydrogen Storage Materials." Journal of Power Sources 324:170-178. DOI: 10.1016/j.jpowsour.2016.05.067

Cai Q, JG Wang, Y Wang and D Mei. 2016. "First-Principles Thermodynamics Study of Spinel MgAl₂O₄ Surface Stability." The Journal of Physical Chemistry C 120(34):19087-19096. DOI: 10.1021/acs.jpcc.6b02998

Callini E, ZÖK Atakli, BC Hauback, SI Orimo, C Jensen, M Dornheim, D Grant, YW Cho, P Chen, B Hjörvarsson, P de Jongh, C Weidenthaler, M Baricco, M Paskevicius, TR Jensen, ME Bowden, TS Autrey and A Züttel. 2016. "Complex and Liquid Hydrides for Energy Storage." Applied Physics A 122(4):353. DOI: 10.1007/s00339-016-9881-5

Cantu DC, D Malhotra, PK Koech, DJ Heldebrant, F Zheng, CJ Freeman, R Rousseau, and VA Glezakou. 2016. "Structure-Property Reduced Order Model for Viscosity Prediction in Single-Component CO₂-Binding Organic Liquids." Green Chemistry 18(22):6004-6011. DOI: 10.1039/c6gc02203k

Chen HY, Z Wei, M Kollar, F Gao, Y Wang, J Szanyi, and CHF Peden. 2016. "NO Oxidation on Zeolite Supported Cu Catalysts: Formation and Reactivity of Surface Nitrates." Catalysis Today 267:17-27. DOI: 10.1016/j.cattod.2015.11.039

Chen L, RS Smith, BD Kay, and Z Dohnalek. 2016. "Adsorption of Small Hydrocarbons on Rutile TiO₂(110)." Surface Science 650:83-92. DOI: 10.1016/j.susc.2015.11.002

Cheng NC, YY Shao, J Liu, and XL Sun. 2016. "Electrocatalysts by Atomic Layer Deposition For Fuel Cell Applications." Nano Energy 29:220-242. DOI: 10.1016/j.nanoen.2016.01.016

Cho HM. 2016. "Dependence of Nuclear Quadrupole Resonance Transitions on the Electric Field Gradient Asymmetry Parameter for Nuclides with Half-Integer Spins." Atomic Data and Nuclear Data Tables 111-112:29.40. DOI: 10.1016/j.adt.2016.02.003

Connelly Robinson SJ, CM Zall, DL Miller, JC Linehan and AM Appel. 2016. "Solvent Influence on the Thermodynamics for Hydride Transfer from Bis(diphosphine) Complexes of Nickel." Dalton Transactions 45(24):10017-10023. DOI: 10.1039/C6DT00309E

Cui CN, JY Han, XL Zhu, X Liu, H Wang, DH Mei, and QF Ge. 2016. "Promotional Effect of Surface Hydroxyls on Electrochemical Reduction of CO₂ over SnO_x/Sn Electrode." Journal of Catalysis 343:257-265. DOI: 10.1016/j.jcat.2015.12.001

Danyal K, S Shaw, TR Page, S Duval, M Horitani, AR Marts, D Lukoyanov, DR Dean, S Raugei, BM Hoffman, LC Seefeldt and E Antony. 2016. "Negative Cooperativity in the Nitrogenase Fe Protein Electron Delivery Cycle." Proceedings of the National Academy of Sciences of the United States of America 113(40): E5783-E5791. DOI:    10.1073/pnas.1613089113

• Research highlight: A Cooperative Way to Make Ammonia

Das AK, VRS Vemuri, IV Kutnyakov, BP McGrail, and RK Motkuri.  2016.  "An Efficient Synthesis Strategy for Metal-Organic Frameworks: Dry-Gel Synthesis of MOF-74 Framework with High Yield and Improved Performance."  Scientific Reports 6:article no. 28050. DOI: 10.1038/srep28050

Davidson SD, J Sun and Y Wang. 2016. "The Effect of ZnO Addition on H₂O Activation over Co/ZrO₂ Catalysts." Catalysis Today 269:140-147. DOI: 10.1016/j.cattod.2015.10.016.

Devaraj A, M Vijayakumar, J Bao, MF Guo, MA Derewinski, ZJ Xu, MJ Gray, S Prodinger, and KK Ramasamy. 2016. "Discerning the Location and Nature of Coke Deposition from Surface to Bulk of Spent Zeolite Catalysts." Scientific Reports 6, article numer 37586. DOI: 10.1038/srep37586

• Research highlight: Of Catalysts and Coke

Dicks OA, AL Shluger, P Sushko, and P Littlewood. 2016. "Spectroscopic Properties of Oxygen Vacancies in LaAlO₃." Physical Review. B, Condensed Matter 93(13):134114. DOI: 10.1103/PhysRevB.93.134114

Du L, YY Shao, JM Sun, GP Yin, J Liu, and Y Wang. 2016. "Advanced Catalyst Supports for PEM Fuel Cell Cathodes." Nano Energy 29:314-322. DOI: 10.1016/j.nanoen.2016.03.016

Du Y, G Li, EW Peterson, J Zhou, X Zhang, R Mu, Z Dohnalek, ME Bowden, I Lyubinetsky, and SA Chambers. 2016. "Iso-Oriented Monolayer α-MoO₃(010) Films Epitaxially Grown on SrTiO₃(001)." Nanoscale 8(5):3119-3124. DOI: 10.1039/C5NR07745A

Dutta, A, B Ginovska, S Raugei, JA Roberts, and WJ Shaw. 2016. "Optimizing Conditions for Utilization of an H Oxidation Catalyst with Outer Coordination Sphere Functionalities." Dalton Transactions 45:9786-9793. DOI: 10.1039/C6DT00280C

• Research highlight: Following Nature's Lead: Mimicking Enzymes to Release Energy

Elliott DC. 2016. "Review of Recent Reports on Process Technology for Thermochemical Conversion of Whole Algae to Liquid Fuels." Algal Research 13:255-263. DOI: 10.1016/j.algal.2015.12.002

Elsaidi SK, MH Mohamed, JS Loring, BP McGrail, and PK Thallapally. 2016. "Coordination Covalent Frameworks: A New Route for Synthesis and Expansion of Functional Porous Materials." ACS Applied Materials & Interfaces 8(42):28424-28427. DOI: 10.1021/acsami.6b11116

Engelhard MH, AI Lyubinetsky, and DR Baer. 2016. "Gallium Arsenide (GaAs) (001) After Sublimation of Arsenic (As) Thin-film Cap, by XPS." Surface Science Spectra 23(83). DOI: 10.1116/1.4962156

Estevez L, DM Reed, Z Nie, AM Schwarz, MI Nandasiri, JP Kizewski, W Wang, EC Thomsen, J Liu, J Zhang, VL Sprenkle, and B Li. 2016. "Tunable Oxygen Functional Groups as Electro-Catalysts on Graphite Felt Surfaces for All Vanadium Flow Batteries." ChemSusChem 9(12):1455-1461. DOI: 10.1002/cssc.201600198

Feller D, KA Peterson and DA Dixon. 2016. "Chapter Two - The Impact of Larger Basis Sets and Explicitly Correlated Coupled Cluster Theory on the Feller-Peterson-Dixon Composite Method." In Annual Reports in Computational Chemistry, pp. 47-78 ed: AD David. Elsevier. Volume 12. DOI: 10.1016/bs.arcc.2016.02.001

Finney B, Z Fang, JS Francisco and DA Dixon. 2016. "Energetic Properties and Electronic Structure of [Si,N,S] and [Si,P,S] Isomers." The Journal of Physical Chemistry A 120(10):1691-1697. DOI: 10.1021/acs.jpca.6b00918

Fischer SA, TW Ueltschi, PZ El-Khoury, AL Mifflin, WP Hess, H Wang, CJ Cramer, and N Govind. 2016. "Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics and Static Normal Mode Analysis: The C-H Region of DMSO as a Case Study." Journal of Physical Chemistry B 120(8):1429-1436. DOI: 10.1021/acs.jpcb.5b03323

Fu L, S Chen, and H Wang. 2016. "Validation of Spectra and Phase in Sub-1 cm^-1 Resolution Sum-Frequency Generation Vibrational Spectroscopy through Internal Heterodyne Phase-Resolved Measurement." Journal of Physical Chemistry B 120(8):1579-1589. DOI: 10.1021/acs.jpcb.5b07780

Fu S, C Zhu, J Song, MH Engelhard, Y He, D Du, CM Wang, and Y Lin. 2016. "Three-dimensional PtNi Hollow Nanochains as Enhanced Electrocatalyst for Oxygen Reduction Reaction." Journal of Materials Chemistry A. DOI: 10.1039/C6TA01801G

Fu SF, CZ Zhu, JH Song, MH Engelhard, HB Xia, D Du, and YH Lin. 2016. "Kinetically Controlled Synthesis of Pt-Based One-Dimensional Hierarchically Porous Nanostructures with Large Mesopores as Highly Efficient ORR Catalysts." ACS Applied Materials & Interfaces 8(51):35213-35218. DOI: 10.1021/acsami.6b11537

Fu SF, CZ Zhu, JH Song, MH Engelhard, XL Li, D Du, and YH Lin. 2016. "Highly Ordered Mesoporous Bimetallic Phosphides as Efficient Oxygen Evolution Electrocatalysts." ACS Energy Letters 1(4):792-796. DOI: 10.1021/acsenergylett.6b00408

Gackowski M, E Bielanska, K Szczepanowicz, P Warszynski, and M Derewinski. 2016. "Deposition of Zeolite Nanoparticles onto Porous Silica Monolith." Surface Innovations 4(2): 88-101. DOI: 10.1680/jsuin.15.00023

Gao F, Y Zheng, RK Kukkadapu, Y Wang, ED Walter, B Schwenzer, J Szanyi, and CHF Peden. 2016. "Iron Loading Effects in Fe/SSZ-13 NH₃-SCR Catalysts: Nature of the Fe-Ions and Structure-Function Relationships." ACS Catalysis 6(5):2939-2954. DOI: 10.1021/acscatal.6b00647

Gao Y, P Tang, H Zhou, W Zhang, H Yang, N Yan, D Mei, J Wang, and D Ma. 2016. "Graphene Oxide Catalyzed C-H Bond Activation: The Importance Oxygen Functional Groups for Biaryl Construction." Angewandte Chemie International Edition 55(9):3124-3128. DOI: 10.1002/anie.201510081

Ginovska B, S Raugei, and WJ Shaw. 2016. Molecular Dynamics Studies of Proton Transport in Hydrogenase and Hydrogenase Mimics. Computational Approaches for Studying Enzyme Mechanism, Pt B. Editor: GA Voth. 578:73-101.

Gu Y, Q Cai, X Chen, Z Zhuang, H Zhou, G Zhuang, X Zhong, D Mei, and J Wang. 2016. "Theoretical Insights into Role of interface for CO Oxidation on Inverse Al₂O₃/Au(111) Catalysts." Acta Physico-Chimica Sinica 32(7):1674-1680. DOI: 10.3866/PKU.WHXB2016032806

Gunaratne KDD, V Prabhakaran, A Andersen, GE Johnson, and J Laskin. 2016. "Charge Retention of Soft-Landed Phosphotungstate Keggin Anions on Self-Assembled Monolayers." Physical Chemistry Chemical Physics (13):9021-9028. DOI: 10.1039/C5CP06954H

He Y, M Gu, HY Xiao, L Luo, Y Shao, F Gao, Y Du, SX Mao, and CM Wang. 2016. "Atomistic Conversion Reaction Mechanism of WO₃ in Secondary Ion Batteries of Li, Na, and Ca." Angewandte Chemie International Edition 55:6244. DOI: 10.1002/anie.201601542

Henderson MA, JG Chen and Z Dohnálek. 2016. "Editorial: Insights into Surface Phenomena: In Honor of John T. Yates Jr." Surface Science 652:1. DOI: 10.1016/j.susc.2016.06.017

Henderson MA, R Mu, A Dahal, I Lyubinetsky, Z Dohnálek, VA Glezakou and R Rousseau. 2016. "Light Makes a Surface Banana-Bond Split: Photodesorption of Molecular Hydrogen from RuO₂(110)." Journal of the American Chemical Society 138(28):8714-8717. DOI: 10.1021/jacs.6b05083

Hensley AJR, Y Wang and JS McEwen. 2016. "Adsorption of Guaiacol on Fe (110) and Pd (111) from First Principles." Surface Science 648:227-235. DOI: 10.1016/j.susc.2015.10.030

Hong Y, A Hensley, J-S McEwen and Y Wang. 2016. "Perspective on Catalytic Hydrodeoxygenation of Biomass Pyrolysis Oils: Essential Roles of Fe-Based Catalysts." Catalysis Letters 146(9):1621-1633. DOI: 10.1007/s10562-016-1770-1.

Hu JZ, S Xu, JH Kwak, MY Hu, C Wan, Z Zhao, J Szanyi, X Bao, X Han, Y Wang, and CHF Peden. 2016. "High Field ²⁷Al MAS NMR and TPD Studies of Active Sites in Ethanol Dehydration using Thermally Treated Transitional Aluminas as Catalysts." Journal of Catalysis 336(1):85-93. DOI: 10.1016/j.jcat.2016.01.006

Huang Q, ED Walter, L Cosimbescu, D Choi, and JP Lemmon. 2016. "In Situ Electrochemical-Electron Spin Resonance Investigations of Multi-Electron Redox Reaction for Organic Radical Cathodes." Journal of Power Sources 306:812-816. DOI: 10.1016/j.jpowsour.2015.11.080

Johnson GE, KDD Gunaratne, and J Laskin. 2016. "Soft- and Reactive Landing of Ions onto Surfaces: Concepts and Applications." Mass Spectrometry Reviews 35(3):439-479. DOI: 10.1002/mas.21451

• Research highlight: The Hard Facts about Soft Landing Ions

Johnson GE, T Moser, M Engelhard, ND Browning, and J Laskin. 2016. "Fabrication of Electrocatalytic Ta Nanoparticles by Reactive Sputtering and Ion Soft Landing." Journal of Chemical Physics 145(17). DOI: 10.1063/1.4966199

Jones J, H Xiong, AT DeLaRiva, EJ Peterson, H Pham, SR Challa, G Qi, S Oh, MH Wiebenga, XI Pereira Hernández, Y Wang and AK Datye. 2016. "Thermally Stable Single-Atom Platinum-on-Ceria Catalysts Via Atom Trapping." Science 353(6295):150-154. DOI: 10.1126/science.aaf8800

Jones J, H Xiong, A DelaRiva, EJ Peterson, H Pham, SR Challa, G Qi, SH Oh, MH Wiebenga, XI Pereira Hernandez, Y Wang, and AK Datye. 2016. "Thermally Stable Single-Atom Platinum-On-Ceria Catalysts via Atom Trapping."  Science 353(6295):150-154. DOI: 10.1126/science.aaf8800

• Research highlight: Researchers Improve Catalyst Efficiency for Clean Industries

Kaneza N, J Zhang, H Liu, PS Archana, Z Shan, M Vasiliu, SH Polansky, DA Dixon, RE Adams, RH Schmehl, A Gupta and S Pan. 2016. "Electrochemical and Spectroscopic Properties of Boron Dipyrromethene–Thiophene–Triphenylamine-Based Dyes for Dye-Sensitized Solar Cells." The Journal of Physical Chemistry C 120(17):9068-9080. DOI: 10.1021/acs.jpcc.6b01611

Kelley SP, PD McCrary, L Flores, EB Garner, DA Dixon and RD Rogers. 2016. "Structural and Theoretical Study of Salts of the [B₉H₁₄]-Ion: Isolation of Multiple Isomers and Implications for Energy Storage." ChemPlusChem 81(9):922-925. DOI: 10.1002/cplu.201600270.

Khadka N, DR Dean, D Smith, BM Hoffman, S Raugei and LC Seefeldt. 2016. "CO₂ Reduction Catalyzed by Nitrogenase: Pathways to Formate, Carbon Monoxide, and Methane." Inorganic Chemistry 55(17): 8321-8330. DOI: 10.1021/acs.inorgchem.6b00388

Kim B, Z Dohnálek, J Szanyi, BD Kay and YK Kim. 2016. "Temperature-Programmed Desorption Study of NO Reactions on Rutile TiO₂(110)-1 × 1." Surface Science 652:148-155. DOI: 10.1016/j.susc.2016.01.032

Knaeble W and E Iglesia. 2016. "Kinetic and Theoretical Insights into the Mechanism of Alkanol Dehydration on Solid Brønsted Acid Catalysts." The Journal of Physical Chemistry C 120(6):3371-3389. DOI: 10.1021/acs.jpcc.5b11127

Knaeble W and E Iglesia. 2016. "Acid Strength and Metal-Acid Proximity Effects on Methylcyclohexane Ring Contraction Turnover Rates and Selectivities." Journal of Catalysis 344:817-830. DOI: 10.1016/j.jcat.2016.08.007

Kovarik L, A Stevens, A Liyu, and ND Browning. 2016. "Implementing an Accurate and Rapid Sparse Sampling Approach for Low-Dose Atomic Resolution STEM Imaging." Applied Physics Letters 109(16). DOI: 10.1063/1.4965720

Kwak JH, J Lee, J Szanyi, and CHF Peden. 2016. "Modification of the Acid/Base Properties of γ-Al₂O₃ by Oxide Additives: An Ethanol TPD Investigation." Catalysis Today 265(1):240-244. DOI: 10.1016/j.cattod.2015.07.042

Laminack W, JL Gole, MG White, S Ozdemir, AG Ogden, HJ Martin, Z Fang, TH Wang and DA Dixon. 2016. "Synthesis of Nanoscale Silicon Oxide Oxidation State Distributions: The Transformation from Hydrophilicity to Hydrophobicity." Chemical Physics Letters 653:137-143. DOI: 10.1016/j.cplett.2016.04.079

Lao DB, BR Galan, JC Linehan and DJ Heldebrant. 2016. "The Steps of Activating a Prospective CO₂ Hydrogenation Catalyst with Combined CO₂ Capture and Reduction." Green Chemistry 18(18):4871-4874. DOI: 10.1039/C6GC01800A

Lao DB, BR Galan, JC Linehan and DJ Heldebrant. 2016. "The Steps of Activating A Prospective CO₂ Hydrogenation Catalyst with Combined CO₂ Capture and Reduction." Green Chemistry 18(18):4871-4874.

Laskin J, GE Johnson, and V Prabhakaran. 2016. "Soft Landing of Complex Ions for Studies in Catalysis and Energy Storage." Journal of Physical Chemistry C 120(41):23305-23322. DOI: 10.1021/acs.jpcc.6b06497

Lebarbier VM, CD Smith, MD Flake, KO Albrecht, MJ Gray, KK Ramasamy, and RA Dagle. 2016. "Integrated Process for the Catalytic Conversion of Biomass-Derived Syngas into Transportation Fuels." Green Chemistry. DOI: 10.1039/c5gc02298c

Lebarbier VM, RA Dagle, L Kovarik, A Genc, Y Wang, ME Bowden, H Wan, MD Flake, VA Glezakou, DL King, and RJ Rousseau. 2016. "Steam Reforming of Hydrocarbons from Biomass-Derived Syngas over MgAl₂O₄-Supported Transition Metals and Bimetallic IrNi Catalysts." Applied Catalysis. B, Environmental 184:142-152. DOI: 10.1016/j.apcatb.2015.11.022

Lee MS, W Um, G Wang, AA Kruger, WW Lukens, R Rousseau and VA Glezakou. 2016. "Impeding ⁹⁹Tc(IV) Mobility in Novel Waste Forms." Nature Communications 7:12067. DOI: 10.1038/ncomms12067

Lee JH, KS Han, JS Lee, AS Lee, SK Park, SY Hong, JC Lee, KT Mueller, SM Hong, and CM Koo. 2016. "Facilitated Ion Transport in Smectic Ordered Ionic Liquid Crystals." Advanced Materials 42:9301–9307. DOI: 10.1002/adma.201602702

Lin P, PK Aiona, Y Li, M Shiraiwa, J Laskin, SA Nizkorodov, and A Laskin. 2016. "Molecular Characterization of Brown Carbon in Biomass Burning Aerosol Particles." Environmental Science & Technology 50(21):11815-11824. DOI: 10.1021/acs.est.6603024

Lindley BM, AM Appel, K Krogh-Jespersen, JM Mayer, and AJM Miller. 2016. "Evaluating the Thermodynamics of Electrocatalytic N₂ Reduction in Acetonitrile." ACS Energy Letters 1(4):698-704. DOI: 10.1021/acsenergylett.6b00319

Liu X, Y Zhang, B Li, LN Zakharov, M Vasiliu, DA Dixon and SY Liu. 2016. "A Modular Synthetic Approach to Monocyclic 1,4-Azaborines." Angewandte Chemie International Edition 55(29):8333-8337. DOI: 10.1002/anie.201602840

Liu C, J Sun, HM Brown, OG Marin-Flores, JT Bays, AM Karim, and Y Wang. 2016. "Aqueous Phase Hydrodeoxygenation of Polyols over Pd/WO₃-ZrO₂: Role of Pd-WO₃ Interaction and Hydrodeoxygenation Pathway." Catalysis Today 269:103-109. DOI: 10.1016/j.cattod.2015.10.034

Liu F, BA Parkinson, R Divan, J Roberts, and YP Liang. 2016. "Quantitative Analysis of Homogeneous Electrocatalytic Reactions at IDA Electrodes: The Example of [Ni(P_^Ph2N^Bn₂)₂]²⁺." Electrochimica Acta 222:323-330. DOI: 10.1016/j.electacta.2016.10.176

Matthiesen JE, JM Carraher, M Vasiliu, DA Dixon and JP Tessonnier. 2016. "Electrochemical Conversion of Muconic Acid to Biobased Diacid Monomers." ACS Sustainable Chemistry & Engineering 4(6):3575-3585. DOI: 10.1021/acssuschemeng.6b00679

Mei D, VL Dagle, R Xing, KO Albrecht, and RA Dagle. 2016. "Steam Reforming of Ethylene Glycol over MgAl₂O₄ Supported Rh, Ni, and Co Catalysts." ACS Catalysis 6(1):315-325. DOI: 10.1021/acscatal.5b01666

• Research highlight: Cobalt Gets the Job Done

Meyer PA, LJ Snowden-Swan, KG Rappe, SB Jones, TL Westover, and KG Cafferty. 2016. "Field-to-Fuel Performance Testing of Lignocellulosic Feedstocks for Fast Pyrolysis and Upgrading: Techno-economic Analysis and Greenhouse Gas Life Cycle Analysis." Energy & Fuels 30(11):9427-9439. DOI: 10.1021/acs.energyfuels.6b01643

Miao C, O Marin-Flores, SD Davidson, T Li, T Dong, D Gao, Y Wang, M Garcia-Pérez and S Chen. 2016. "Hydrothermal Catalytic Deoxygenation of Palmitic Acid Over Nickel Catalyst." Fuel 166:302-308. DOI: 10.1016/j.fuel.2015.10.120.

Mock MT, AW Pierpont, JD Egbert, M O'Hagan, S Chen, RM Bullock, WG Dougherty, WS Kassel, and R Rousseau. 2015. "Protonation Studies of a Mono-Dinitrogen Complex of Chromium Supported by a 12-Membered Phosphorus Macrocycle Containing Pendant Amines." Inorganic Chemistry 54:4827-4839. DOI: 10.1021/acs.inorgchem.5b00351

• Research highlight: Chromium Breaks the Toughest of Bonds, with the Right Support

Novotny Z, FP Netzer and Z Dohnálek. 2016. "Ceria Nanoclusters on Graphene/Ru(0001): A New Model Catalyst System." Surface Science 652:230-237. DOI: 10.1016/j.susc.2016.03.020

Park S, Y Shao, VV Viswanathan, J Liu, and Y Wang. 2016. "Electrochemical Study of Highly Durable Cathode with Pt Supported on ITO-CNT Composite for Proton Exchange Membrane Fuel Cells." Journal of Industrial and Engineering Chemistry 42: 81-86. DOI: 10.1016/j.jiec.2016.07.039

Pegis ML, BA McKeown, N Kumar, K Lang, DJ Wasylenko, XP Zhang, S Raugei, and JM Mayer. 2016. "Homogenous Electrocatalytic Oxygen Reduction Rates Correlate with Reaction Overpotential in Acidic Organic Solutions." ACS Central Science 2(11):850-856. DOI: 10.1021/acscentsci.6b00261

Pegis ML, JAS Roberts, DJ Wasylenko, EA Mader, AM Appel, and JM Mayer. 2015. "Standard Reduction Potentials for Oxygen and Carbon Dioxide Couples in Acetonitrile and N,N-Dimethylformamide." Inorganic Chemistry 54:11883-11888. DOI: 10.1021/acs.inorgchem.5b02136

• Research highlight: Measuring Up: The Gold Standard for Catalysts in Real World Conditions

Petrik NG, GA Kimmel, M Shen and MA Henderson. 2016. "Quenching of Electron Transfer Reactions through Coadsorption: A Study of Oxygen Photodesorption from TiO₂(110)." Surface Science 652:183-188. DOI: /10.1016/j.susc.2015.12.038

Prabhakaran V, BL Mehdi, JJ Ditto, MH Engelhard, B Wang, KDD Gunaratne, DC Johnson, ND Browning, GE Johnson, and J Laskin. 2016. "Rational Design of Efficient Electrode-Electrolyte Interfaces for Solid-State Energy Storage Using Ion Soft-Landing." Nature Communications 7, Article no: 11399. DOI: 10.1038/ncomms11399

• Research highlight: Cleaning up Hybrid Battery Electrodes Improves Capacity and Lifespan

Prabhakaran V, GE Johnson, BB Wang, and J Laskin. 2016. "In Situ Solid-State Electrochemistry of Mass-Selected Ions at Well-Defined Electrode-Electrolyte Interfaces." Proceedings of the National Academy of Sciences of the United States of America 113(47):13324-13329. DOI: 10.1073/pnas.1608730113

Priyadarshani N, A Dutta, B Ginovska-Pangovska, GW Buchko, MJ O'Hagan, S Raugei, and WJ Shaw. 2016. "Achieving Reversible H₂/H⁺ Interconversion at Room Temperature with Enzyme-Inspired Molecular Complexes: A Mechanistic Study." ACS Catalysis 6(9):6037-6049. DOI: 10.1021/acscatal.6b01433

• Research highlight: There and Back Again: Catalyst Mediates Energy-Efficient Proton Transport for Reversibility

Prodinger S, MA Derewinski, A Vjunov, SA Burton, I Arslan, and JA Lercher. 2016. "Improving Stability of Zeolites in Aqueous Phase via Selective Removal of Structural Defects." Journal of the American Chemical Society 138(13):4408-4415. DOI: 10.1021/jacs.5b12785

• Research highlight: How to Heal Broken Bonds, Catalyst Style

Prodinger S, VRS Vemuri, T Varga, BP McGrail, RK Motkuri, and MA Derewinski. 2016. "Impact of Chabazite SSZ-13 Textural Properties and Chemical Composition on CO₂ Adsorption Applications." New Journal of Chemistry. DOI: 10.1039/C5NJ03205A

Pruski M, AD Sadow, II Slowing, CL Marshall, P Stair, J Rodriguez, A Harris, GA Somorjai, J Biener, C Matranga, C Wang, JA Schaidle, GT Beckham, DA Ruddy, T Deutsch, SM Alia, C Narula, S Overbury, T Toops, RM Bullock, CHF Peden, Y Wang, MD Allendorf, J Nørskov and T Bligaard. 2016. "Virtual Special Issue on Catalysis at the U.S. Department of Energy's National Laboratories." ACS Catalysis 6(5):3227-3235. DOI: 10.1021/acscatal.6b00823

Rahman MM, SD Davidson, J Sun and Y Wang. 2016. "Effect of Water on Ethanol Conversion over ZnO." Topics in Catalysis 59(1):37-45. DOI: 10.1007/s11244-015-0503-9

Ramasamy KK, MJ Gray, HM Job, CD Smith, and Y Wang. 2016. "Tunable Catalytic Properties of Bi-Functional Mixed Oxides in Ethanol Conversion to High Value Compounds." Catalysis Today 269:82-87. DOI: 10.1016/j.cattod.2015.11.045

Ramasamy KK, MJ Gray, HM Job, DM Santosa, XS Li, A Devaraj, AJ Karkamkar, and Y Wang. 2016. "Role of Calcination Temperature on the Hydrotalcite Derived MgO-Al₂O₃ in Converting Ethanol to Butanol." Topics in Catalysis 59(1):46-54. DOI: 10.1007/s11244-015-0504-8

Raugei S, ML Helm, S Hammes-Schiffer, AM Appel, MJ O'Hagan, ES Wiedner, and RM Bullock. 2016. "Experimental and Computational Mechanistic Studies Guiding the Rational Design of Molecular Electrocatalysts for Production and Oxidation of Hydrogen." Inorganic Chemistry 55(2):445-460. DOI: 10.1021/acs.inorgchem.5b02262

• Research highlight: Five Cents About Nickel Catalysts

Reback ML, B Ginovska, GW Buchko, A Dutta, N Priyadarshani, BL Kier, ML Helm, S Raugei, and WJ Shaw. 2016. "Investigating the Role of Chain and Linker Length on the Catalytic Activity of an H₂ Production Catalyst Containing a β-hairpin Peptide."Journal of Coordination Chemistry 69(11-13):1730-1747. DOI: 10.1080/00958972.2016.1188924

Righini L, F Gao, L Lietti, J Szanyi, and CHF Peden. 2016. "Performance and Properties of K and TiO₂ Based LNT Catalysts." Applied Catalysis. B, Environmental 181:862-873. DOI: 10.1016/j.apcatb.2015.07.008

Rodriguez-Macia P, N Priyadarshani, A Dutta, C Weidenthaler, W Lubitz, WJ Shaw, and O Rudiger. 2016. "Covalent Attachment of the Water-Insoluble Ni(P^Cy₂N^Phe₂)₂ Electrocatalyst to Electrodes Showing Reversible Catalysis in Aqueous Solution." Electroanalysis 28(10):2452-2458. DOI: 10.1002/elan.201600306

Sanwald KE, TF Berto, W Eisenreich, OY Gutierrez, and JA Lercher. 2016. "Catalytic Routes and Oxidation Mechanisms in Photoreforming of Polyols." Journal of Catalysis 344:806-816. DOI: 10.1016/j.jcat.2016.08.009

Schreiber MW, D Rodriguez-Nino, OY Gutierrez, and JA Lercher. 2016. "Hydrodeoxygenation of Fatty Acid Esters Catalyzed by Ni on Nano-Sized MFI Type Zeolites." Catalysis Science & Technology 6(22):7976-7984. DOI: 10.1039/c6cy01598k

Shan B, AK Das, S Marquard, BH Farnum, D Wang, RM Bullock, and TJ Meyer. 2016. "Photogeneration of Hydrogen from Water by a Robust Dye-Sensitized Photocathode." Energy & Environmental Science 9(12):3693-3697. DOI: 10.1039/c6ee02903e

Shi QR, CZ Zhu, YJ Li, HB Xia, MH Engelhard, SF Fu, D Du, and YH Lin. 2016. "A Facile Method for Synthesizing Dendritic Core-Shell Structured Ternary Metallic Aerogels and Their Enhanced Electrochemical Performances." Chemistry of Materials 28(21):7928-7934. DOI: 10.1021/acs.chemmater.6b03549

Shin Y, J Tao, BW Arey, C Wang, GJ Exarhos, JJ De Yoreo, ML Sushko, and J Liu. 2016. "Double Epitaxy as a Paradigm for Templated Growth of Highly Ordered Three-Dimensional Mesophase Crystals." ACS Nano. DOI: 10.1021/acsnano.6b03999

• Research highlight: Taking Materials into the Third Dimension

Smith MF, SJ Cassidy, IA Adams, M Vasiliu, DL Gerlach, DA Dixon and PA Rupar. 2016. "Substituent Effects on the Properties of Borafluorenes." Organometallics 35(18):3182-3191. DOI: 10.1021/acs.organomet.6b00537

Smith CD, VM Lebarbier, MD Flake, KK Ramasamy, L Kovarik, ME Bowden, T Onfroy, and RA Dagle. 2016. "Conversion of Syngas-Derived C₂⁺ Mixed Oxygenates to C₃-C₅ Olefins over Zn_xZr_yO_z Mixed Oxides Catalysts." Catalysis Science and Technology. DOI: 10.1039/C5CY01261A

Snowden-Swan LJ, KA Spies, GSJ Lee, and Y Zhu. 2016. "Life Cycle Greenhouse Gas Emissions Analysis of Catalysts for Hydrotreating of Fast Pyrolysis Bio-Oil." Biomass & Bioenergy 86:136-145. DOI: 10.1016/j.biombioe.2016.01.019

Song W, Y Liu, E Baráth, LL Wang, C Zhao, D Mei and JA Lercher. 2016. "Dehydration of 1-Octadecanol over H-BEA: A Combined Experimental and Computational Study." ACS Catalysis 6(2):878-889. DOI: 10.1021/acscatal.5b01217

Song Y, SH Chia, U Sanyal, OY Gutierrez, and JA Lercher. 2016. "Integrated Catalytic and Electrocatalytic Conversion of Substituted Phenols and Diaryl Ethers." Journal of Catalysis 344:263-272. DOI: 10.1016/j.jcat.2016.09.030

Sun J, Q Cai, Y Wan, S Wan, L Wang, J Lin, D Mei, and Y Wang. 2016. "The Promotional Effects of Cesium Promoter on Higher Alcohol Synthesis from Syngas over Cesium-Promoted Cu/ZnO/Al₂O₃ Catalysts." ACS Catalysis 6(9):5771-5785. DOI: 10.1021/acscatal.6b00935

Sun J, RA Baylon, C Liu, D Mei, KJ Martin, P Venkitasubramanian, and Y Wang. 2016. "Key Roles of Lewis Acid-base Pairs on Zn_xZr_yO_z in Direct Ethanol/Acetone to Isobutene Conversion." Journal of the American Chemical Society 138(2):507-517. DOI: 10.1021/jacs.5b07401

Szanyi J, F Gao, M Kollar, JH Kwak, Y Wang, and CHF Peden. 2016. "Characterization of Fe²⁺ Ions in Fe,H/SSZ-13 Zeolites: FTIR Spectroscopy of CO and NO Probe Molecules." Physical Chemistry Chemical Physics 18(15):10473-10485. DOI: 10.1039/c6cp00136j

Taheri ML, EA Stach, I Arslan, PA Crozier, BC Kabius, T LaGrange, AM Minor, S Takeda, M Tanase, JB Wagner, and R Sharma. 2016. "Current Status and Future Directions for In Situ Transmission Electron Microscopy." Ultramicroscopy 170:86-95. DOI: 10.1016/j.ultramic.2016.08.007

Tan E, LJ Snowden-Swan, M Talmadge, A Dutta, SB Jones, K Kallupalayam Ramasamy, MJ Gray, RA Dagle, AB Padmaperuma, and MA Gerber. 2016. “Comparative Techno-economic Analysis and Process Design for Indirect Liquefaction Pathways to Distillate-range Fuels via Biomass-derived Oxygenated Intermediates Upgrading.” Biofuels, Bioproducts & Biorefining. DOI: 10.1002/bbb.1710

Tian C, X Zhu, CW Abney, Z Tian, DE Jiang, KS Han, SM Mahurin, NM Washton, and S Dai. 2016. "Use of Steric Encumbrance to Develop Conjugated Nanoporous Polymers for Metal-Free Catalytic Hydrogenation." Chemical Communications 52(80): 11919-11922. DOI: 10.1039/C6CC06372A

von Rudorff GF, R Jakobsen, KM Rosso, and J Blumberger. 2016. "Hematite(001)-Liquid Water Interface from Hybrid Density Functional-Based Molecular Dynamics." Journal of Physics-Condensed Matter 28(39). DOI: 10.1088/0953-8984/28/39/394001

Wan C, MY Hu, NR Jaegers, DC Shi, HM Wang, F Gao, ZH Qin, Y Wang, and JZ Hui. 2016. "Investigating the Surface Structure of Gamma-Al₂O₃ Supported WO_x Catalysts by High Field ²⁷Al MAS NMR and Electronic Structure Calculations." Journal of Physical Chemistry C 120(40):23093-23103. DOI: 10.1021/acs.jpcc.6b09060

Wang H and Y Wang. 2016. "Characterization of Deactivated Bio-oil Hydrotreating Catalysts." Topics in Catalysis 59(1):65-72. DOI: 10.1007/s11244-015-0506-6.

Wang W, K Wu, P Liu, L Li, Y Yang and Y Wang. 2016. "Hydrodeoxygenation of p-Cresol over Pt/Al₂O₃ Catalyst Promoted by ZrO₂, CeO₂, and CeO₂-ZrO₂." Industrial & Engineering Chemistry Research 55(28):7598-7603. DOI: 10.1021/acs.iecr.6b00515

Wang X, Y Hong, H Shi and J Szanyi. 2016. "Kinetic Modeling and Transient DRIFTS-MS Studies of CO₂ Methanation over Ru/Al₂O₃ Catalysts." Journal of Catalysis 343:185-195. DOI: http://dx.doi.org/10.1016/j.jcat.2016.02.001

Wang CM, Z Zhu, MH Engelhard, A Devaraj, and DR Baer. 2016. "Multimodal and In-Situ Chemical Imaging of Critical Surfaces and Interfaces in Li Batteries." Microscopy Today 24(2):32-38.

Wang X, YC Hong, H Shi, and J Szanyi. 2016. "Kinetic Modeling and Transient DRIFTS-MS Studies of CO₂ Methanation over Ru/Al₂O₃ Catalysts." Journal of Catalysis 343:185-195. DOI: 10.1016/j.jcat.2016.02.001

Wang YCA, MH Engelhard, DR Baer, and DG Castner. 2016. "Quantifying the Impact of Nanoparticle Coatings and Non-Uniformities on XPS Analysis: Gold/silver Core-shell Nanoparticles." Analytical Chemistry. Article ASAP. DOI: 10.1021/acs.analchem.6b00100

Wang YG, DC Cantu, MS Lee, J Li, VA Glezakou and R Rousseau. 2016. "CO Oxidation on Au/TiO₂: Condition-Dependent Active Sites and Mechanistic Pathways." Journal of the American Chemical Society 138(33):10467-10476. DOI: 10.1021/jacs.6b04187

Wei XL, GG Xia, B Kirby, E Thomsen, B Li, ZM Nie, GG Graff, J Liu, V Sprenkle, and W Wang. 2016. "An Aqueous Redox Flow Battery Based on Neutral Alkali Metal Ferri/Ferrocyanide and Polysulfide Electrolytes." Journal of the Electrochemical Society 163(1):A5150-A5153. DOI: 10.1149/2.0221601jes

Whittemore SM, M Bowden, A Karkamkar, K Parab, D Neiner, T Autrey, JSA Ishibashi, G Chen, SY Liu and DA Dixon. 2016. "Blending Materials Composed of Boron, Nitrogen and Carbon to Transform Approaches to Liquid Hydrogen Stores." Dalton Transactions 45(14):6196-6203. DOI: 10.1039/C5DT04276C

Wiedner ES, MB Chambers, CL Pitman, RM Bullock, AJM Miller and AM Appel. 2016. "Thermodynamic Hydricity of Transition Metal Hydrides." Chemical Reviews 116(15):8655-8692. DOI: 10.1021/acs.chemrev.6b00168

Wiedner ES and RM Bullock. 2016. "Electrochemical Detection of Transient Cobalt Hydride Intermediates of Electrocatalytic Hydrogen Production." Journal of the American Chemical Society 138:8309-8318. DOI: 10.1021/jacs.6b04779

• Research highlight: The Case of the Cobalt Catalyst

Wiedner ES, HJ Brown, and ML Helm. 2016. "Kinetic Analysis of Competitive Electrocatalytic Pathways: New Insights into Hydrogen Production with Nickel Electrocatalysts." Journal of the American Chemical Society 138(2):604-616. DOI: 10.1021/jacs.5b10853

Wolke CT, JA Fournier, E Miliordos, SM Kathmann, SS Xantheas, and MA Johnson. 2016. "Isotopomer-Selective Spectra of a Single Intact H₂O Molecule in the Cs⁺(D₂O)₅H₂O Isotopologue: Going Beyond Pattern Recognition to Harvest the Structural Information Encoded in Vibrational Spectra." Journal of Chemical Physics 144(7):074305. DOI: 10.1063/1.4941285

Xing R, VM Lebarbier, MD Flake, L Kovarik, CA Deshmane, KO Albrecht, and RA Dagle. 2016. "Steam Reforming of Fast Pyrolysis-Derived Aqueous Phase Oxygenates over Co, Ni, and Rh Metals Supported on MgAl₂O₄." Catalysis Today. DOI: 10.1016/j.cattod.2015.11.046

Xu S, Z Zhao, MY Hu, X Han, JZ Hu, and X Bao. 2016. "Investigation of Water Assisted Phase Transformation Process from AlPO₄-5 to AlPO₄-tridymite." Microporous and Mesoporous Materials 223:241-246. DOI: 10.1016/j.micromeso.2015.10.039

Xu Y, CJ Dibble, NG Petrik, RS Smith, BD Kay, and GA Kimmel. 2016. "Complete Wetting of Pt(111) by Nanoscale Liquid Water Films." Journal of Physical Chemistry Letters 7(3):541-547. DOI: 10.1021/acs.jpclett.5b02748

Yan P, J Zheng, J Zheng, Z Wang, G Teng, S Kuppan, J Xiao, G Chen, F Pan, J Zhang, and CM Wang. 2016. "Ni And Co Segregations On Selective Surface Facets And Rational Design Of Layered Lithium Transition-metal Oxide Cathodes." Advanced Energy Materials 6(9):Article No. 1502455. DOI: 10.1002/aenm.201502455

Yang GH, YZ Zhou, HB Pan, CZ Zhu, SF Fu, CM Wai, D Du, JJ Zhu, and YH Lin. 2016. "Ultrasonic-Assisted Synthesis of Pd-Pt/Carbon Nanotubes Nanocomposites for Enhanced Electro-Oxidation of Ethanol and Methanol in Alkaline Medium." Ultrasonics Sonochemistry 28:192-198. DOI: 10.1016/j.ultsonch.2015.07.021

Yao J, Y Zhou, X Sui, D Lao, DJ Heldebrant, Z Zhu, and XY Yu. 2016. "Switchable 1,8-diazabicycloundec-7-ene and 1-hexanol Ionic Liquid Analyzed by Liquid ToF-SIMS." Surface Science Spectra 23(1):9-28. DOI: 10.1116/1.4948526

Yi CW and J Szanyi. 2016. "Pd Overlayer on Oxygen Pre-covered Graphene/Ru(0001): Thermal Stability." Surface Science 648:271-277. DOI: 10.1016/j.susc.2015.12.018

Yoon KJ and OA Marina. 2016. "Highly Stable Dual-Phase Y_0.8Ca_0.2Cr_0.8Co_0.2O₃-Sm_0.2Ce_0.8O_1.9 Ceramic Composite Membrane for Oxygen Separation." Journal of Membrane Science 499:301-306. DOI: 10.1016/j.memsci.2015.10.064

Yu J, Y Zhou, X Hua, S Liu, Z Zhu, and XY Yu. 2016. "Capturing the Transient Species at the Electrode-Electrolyte Interface by In Situ Dynamic Molecular Imaging." Chemical Communications 52(73):10952-10955. DOI: 10.1039/C6CC02893D

Yu N, H Zhang, SD Davidson, JM Sun, and Y Wang. 2016. "Effect of ZnO Facet on Ethanol Steam Reforming over Co/ZnO." Catalysis Communications 73:93-97. DOI: 10.1016/j.catcom.2015.10.018

Yu X, Z Zhang, C Yang, F Bebensee, S Heissler, A Nefedov, M Tang, Q Ge, L Chen, BD Kay, Z Dohnálek, Y Wang and C Wöll. 2016. "Interaction of Formaldehyde with the Rutile TiO₂(110) Surface: A Combined Experimental and Theoretical Study." The Journal of Physical Chemistry C 120(23):12626-12636. DOI: 10.1021/acs.jpcc.6b03689

Zall CM, JC Linehan and AM Appel. 2016. "Triphosphine-Ligated Copper Hydrides for CO₂ Hydrogenation: Structure, Reactivity, and Thermodynamic Studies." Journal of the American Chemical Society 138(31):9968-9977. DOI: 10.1021/jacs.6b05349

Zhai Y, JS DuChene, YC Wang, J Qiu, AC Johnson-Peck, B You, W Guo, B DiCiaccio, K Qian, E Zhao, F Ooi, D Hu, D Su, EA Stach, Z Zhu, and WD Wei. 2016. "Polyvinylpyrrolidone-Induced Anisotropic Growth of Gold Nanoprisms in Plasmon-Driven Synthesis." Nature Materials 15(8):889-896. DOI: 10.1038/nmat4683

• Research highlight: Light Strikes Gold to Create Better Catalysts

Zhang S, H Li, AM Appel, MB Hall, and RM Bullock. 2016. "Facile P-C/C-H Bond Cleavage Reactivity of Nickel Bis(diphosphine) Complexes." Chemistry: A European Journal 22(28):9493-9497. DOI: 10.1002/chem.201601469

Zhao ZC, SC Xu, MY Hu, XH Bao, and JZ Hu. 2016. "In Situ High Temperature High Pressure MAS NMR Study on the Crystallization of AlPO₄-5." Journal of Physical Chemistry C 120:1701-1708. DOI: 10.1021/acs.jpcc.5b11294

Zhou Y, J Yao, Y Ding, J Yu, X Hua, JE Evans, X Yu, D Lao, DJ Heldebrant, SK Nune, B Cao, ME Bowden, XY Yu, X Wang, and Z Zhu. 2016. "Improving the Molecular Ion Signal Intensity for In Situ Liquid SIMS Analysis." Journal of the American Society for Mass Spectrometry 27(12):2006-2013. DOI: 10.1007/s13361-016-1478-x

Zhou YZ, CH Yen, YH Hu, CM Wang, XN Cheng, CM Wai, J Yang, and YH Lin. 2016. "Making Ultrafine and Highly-Dispersive Multimetallic Nanoparticles in Three-Dimensional Graphene with Supercritical Fluid As Excellent Electrocatalyst for Oxygen Reduction Reaction." Journal of Materials Chemistry A 4(47):18628-18638. DOI: 10.1039/c6ta08508c

2015

Albrecht KO. 2015. Pacific Northwest Ethylene and Light Olefin Production Opportunities from Biomass and Municipal Solid Waste: TAP Agreement 15-15 Report for Imperium Aviation Fuels. PNNL-24256, Pacific Northwest National Laboratory, Richland, WA.

Beale AM, F Gao, I Lezcano-Gonzalez, CHF Peden, and J Szanyi. 2015. "Recent Advances in Automotive Catalysis for NO_x Emission Control by Zeolites." Chemical Society Reviews 44(20):7371-7405. DOI: 10.1039/c5cs00108k

• Research highlight: The Shorter Road to Having It All: Fuel Efficiency and Cleaner Exhausts

Brown HJS, S Wiese, JA Roberts, RM Bullock, and ML Helm.  2015.  "Electrocatalytic Hydrogen Production by [Ni(7P^Ph₂N^H)₂]²⁺: Removing the Distinction Between Endo- and Exo- Protonation Sites." ACS Catalysis 5(4):2116-2123. DOI: 10.1021/cs502132y

Cai Q, J Wang, YG Wang, and D Mei. 2015. "Mechanistic Insights into the Structure-Dependent Selectivity of Catalytic Furfural Conversion on Platinum Catalysts." AIChE Journal 6(11):3812-3824. DOI: 10.1002/aic.14902

Camaioni DM, T Autrey, KK Parab, ME Bowden, RG Potter, and B Ginovska-Pangovska. 2015. "Heterolysis of H₂ Across a Classical Lewis Pai, 2,6-Lutidine-BCL₃: Synthesis, Characterization and Mechanism." Chemistry: A European Journal (21):1-8. DOI: 10.1002/chem.201501899

Chen HY, Z Wei, M Kollar, F Gao, Y Wang, J Szanyi, and CHF Peden. 2015. "A Comparative Study of N₂O Formation during the Selective Catalytic Reduction of NO_x with NH₃ on Zeolite Supported Cu Catalysts." Journal of Catalysis 329:490-498. DOI: 10.1016/j.jcat.2015.06.016

Cheng Y, RM Stolley, KS Han, Y Shao, BW Arey, NM Washton, KT Mueller, ML Helm, VL Sprenkle, J Liu, and G Li. 2015. "Highly Active Electrolytes for Rechargeable Mg Batteries Based on [Mg₂(μ-Cl)₂]²⁺ Cation Complex in Dimethoxyethane." Physical Chemistry Chemical Physics 17:13307-13314. DOI: 10.1039/C5CP00859J

Colby RJ, DH Alsem, AV Liyu, and BC Kabius. 2015. "A Method for Measuring the Local Gas Pressure within a Gas-Flow Stage In Situ in the Transmission Electron Microscope." Ultramicroscopy 153:55-60. DOI: 10.1016/j.ultramic.2015.01.002

Comes RB, SY Smolin, TC Kaspar, R Gao, BA Apgar, LW Martin, ME Bowden, J Baxter, and SA Chambers. 2015. "Visible Light Carrier Generation in Co-Doped Epitaxial Titanate Films." Applied Physics Letters 106:092901. DOI: 10.1063/1.4913930

Connelly SJ, ES Wiedner, and AM Appel.  2015.  "Predicting the Reactivity of Hydride Donors in Water: Thermodynamic Constants for Hydrogen." Dalton Transactions 44(13):5933-5938. DOI: 10.1039/C4DT03841J

Cosimbescu L, X Wei, M Vijayakumar, W Xu, ML Helm, SD Burton, CM Sorensen, J Liu, VL Sprenkle, and W Wang. 2015. "Anion-Tunable Properties and Electrochemical Performance of Functionalized Ferrocene Compounds." Scientific Reports 5:14117. DOI: 10.1038/srep14117

Darmon JM, N Kumar, EB Hulley, CJ Weiss, S Raugei, RM Bullock, and ML Helm. 2015. "Increasing the Rate of Hydrogen Oxidation Without Increasing the Overpotential: a Bio-Inspired Iron Molecular Electrocatalyst with an Outer Coordination Sphere Proton Relay." Chemical Science 6:2737-2745. DOI: 10.1039/C5SC00398A

Das AK, MH Engelhard, S Lense, JAS Roberts, RM Bullock. "Covalent Attachement of Diphosphine Ligands to Glassy Carbon Electrodes via Cu-Catalyzed Alkyne-Azide Cycloaddition. Metallation with Ni(II)." Dalton Transactions 44:12225. DOI: 10.1039/c5dt00162e

Deng X, MY Hu, X Wei, W Wang, Z Chen, J Liu, and JZ Hu. 2015. "Natural Abundance ¹⁷O Nuclear Magnetic Resonance and Computational Modeling Studies of Lithium Based Liquid Electrolytes." Journal of Power Sources 285:146-155. DOI: 10.1016/j.jpowsour.2015.03.091

Droubay TC, L Kong, SA Chambers, and WP Hess. 2015. "Work Function Reduction by BaO: Growth of Crystalline Barium Oxide on Ag(001) and Ag(111) Surfaces." Surface Science 632:201-206. DOI: 10.1016/j.susc.2014.07.010

El-Khoury PZ, Y Gong, P Abellan, BW Arey, AG Joly, D Hu, JE Evans, ND Browning, and WP Hess. 2015. "Tip-Enhanced Raman Nanographs: Mapping Topography and Local Electric Fields." Nano Letters 15(4):2385–2390. DOI: 10.1021/acs.nanolett.5b00609

Elliott DC, P Biller, A Ross, AJ Schmidt, and SB Jones. 2015. "Hydrothermal Liquefaction of Biomass: Developments from Batch to Continuous Process." Bioresource Technology 178:147-156. DOI: 10.1016/j.biortech.2014.09.132

Elliott DC. 2015. "Biofuel from Fast Pyrolysis and Catalytic Hydrodeoxygenation." Current Opinion in Chemical Engineering 9:59-65. DOI: 10.1016/j.coche.2015.08.008

Elliott DC. 2015. "Review of Recent Reports on Process Technology for Thermochemical Conversion of Whole Algae to Liquid Fuels." Algal Research 13:255-263. DOI: 10.1016/j.algal.2015.12.002

Fernandez CA, SK Nune, HV Annapureddy, LX Dang, BP McGrail, F Zheng, E Polikarpov, DL King, CJ Freeman, and KP Brooks. 2015. "Hydrophobic and Moisture-Stable Metal-Organic Frameworks." Dalton Transactions 44(30):13490-13497. DOI: 10.1039/C5DT00606F

Flynn BT, H Zhang, V Shutthanandan, T Varga, RJ Colby, RP Oleksak, S Manandhar, MH Engelhard, SA Chambers, MA Henderson, GS Herman, and S Thevuthasan. 2015. "Growth and Surface Modification of LaFeO₃ Thin Films Induced by Reductive Annealing." Applied Surface Science 330:309-315. DOI: 10.1016/j.apsusc.2015.01.028

Foraita S, JL Fulton, ZA Chase, A Vjunov, P Xu, E Baráth, DM Camaioni, C Zhao, JA Lercher. 2015. "Impact of the Oxygen Defects and the Hydrogen Concentration on the Surface of Tetragonal and Monoclinic ZrO₂ on the Reduction Rates of Stearic Acid on Ni/ZrO₂." Chemistry a European Journal 21: 2423-2434. DOI: 10.1002/chem.201405312

Fu L, S Chen, and H Wang. 2015. "Validation of Spectra and Phase in Sub-1 cm-1 Resolution Sum-Frequency Generation Vibrational Spectroscopy Through Internal Heterodyne Phase Resolved Measurement." Journal of Physical Chemistry B. DOI: 10.1021/acs.jpcb.5b07780

Fu S, C Zhu, Y Zhou, G Yang, JW Jeon, JP Lemmon, D Du, SK Nune, and Y Lin. 2015. "Metal-Organic Framework Derived Hierarchically Porous Nitrogen-Doped Carbon Nanostructures as Novel Electrocatalyst for Oxygen Reduction Reaction." Electrochimica Acta 178:287-293. DOI: 10.1016/j.electacta.2015.08.021

• Research Highlight: The Noble Architecture of New Materials

Fulton JL, N Govind, T Huthwelker, EJ Bylaska, A Vjunov, S Pin, and TD Smurthwaite. 2015. "Electronic and Chemical State of Aluminum from the Single- (K) and Double-Electron Excitation (KL_II&III, KL_I) XANES Spectra of α-Alumina, Sodium Aluminate, Aqueous Al³⁺•(H₂O)₆, and Aqueous Al(OH)₄^- ." Journal of Physical Chemistry B. Article ASAP. DOI: 10.1021/jp511602n

Gao F, M Kollar, RK Kukkadapu, NM Washton, Y Wang, J Szanyi, and CHF Peden. 2015. "Fe/SSZ-13 as an NH₃-SCR Catalyst: A Reaction Kinetics and FTIR/Mössbauer Spectroscopic Study." Applied Catalysis. B, Environmental 164:407-419. DOI: 10.1016/j.apcatb.2014.09.031

Gao F, NM Washton, Y Wang, M Kollar, J Szanyi, and CHF Peden. 2015. "Effects of Si/Al Ratio on Cu/SSZ-13 NH₃-SCR Catalysts: Implications for the Active Cu Species and the Roles of Brønsted Acidity." Journal of Catalysis 331:25-38. DOI: 10.1016/j.jcat.2015.08.004

Gao F, Y Wang, M Kollar, NM Washton, J Szanyi, and CHF Peden. 2015. "A Comparative Kinetics Study between Cu/SSZ-13 and Fe/SSZ-13 SCR Catalysts." Catalysis Today 258(Part 2):347-358. DOI: 10.1016/j.cattod.2015.01.025

Gao F, Y Wang, NM Washton, M Kollar, J Szanyi, and CHF Peden. 2015. "Effects of Alkali and Alkaline Earth Cocations on the Activity and Hydrothermal Stability of Cu/SSZ-13 NH₃-SCR Catalysts." ACS Catalysis 5(11):6780-6791. DOI: 10.1021/acscatal.5b01621

Gong Y, AG Joly, D Hu, PZ El-Khoury, and WP Hess. 2015. "Ultrafast Imaging of Surface Plasmons Propagating on a Gold Surface." Nano Letters 15(5):3472-8. DOI: 10.1021/acs.nanolett.5b00803

• Research Highlight: Could Computers Reach Light Speed?

Gunaratne KDD, V Prabhakaran, GE Johnson, and J Laskin. 2015. "Gas-Phase Fragmentation Pathways of Mixed-Addenda Keggin Anions: PMo_12-nW_nO₄₀^3- (n = 0-12)." Journal of the American Society for Mass Spectrometry 26(6):1027-1035. DOI: 10.1007/s13361-015-1090-5

Han CW, H Iddir, A Uzun, LA Curtiss, ND Browning, BC Gates, and V Ortalan. 2015. "Migration of Single Iridium Atoms and Tri-iridium Clusters on MgO Surfaces: Aberration-Corrected STEM Imaging and ab-initio Calculations." Journal of Physical Chemistry Letters 6:4675-4679. DOI: 10.1021/acs.jpclett.5b01884

Hardy JS, JW Stevenson, P Singh, MK Mahapatra, ED Wachsman, M Liu, and KR Gerdes. 2015. Effects of Humidity on Solid Oxide Fuel Cell Cathodes. PNNL-24115, Pacific Northwest National Laboratory, Richland, WA.

Ho MH, M O'Hagan, M Dupuis, DL DuBois, RM Bullock, WJ Shaw, and S Raugei. 2015. "Water-Assisted Proton Delivery and Removal in Bio-Inspired Hydrogen Production Catalysts." Dalton Transactions 44:10969-10979. DOI: 10.1039/C5DT00782H

Ho MH, RJ Rousseau, JA Roberts, ES Wiedner, M Dupuis, DL DuBois, RM Bullock, and S Raugei. 2015. "Ab Initio-Based Kinetic Modeling for the Design of Molecular Catalysts: the Case of H₂ Production Electrocatalysts." ACS Catalysis 5(9):5436-5452. DOI: 10.1021/acscatal.5b01152

• Research Highlight: Teaching Reactions How to Navigate

Hu JZ, MY Hu, Z Zhao, S Xu, A Vjunov, H Shi, DM Camaioni, CHF Peden, and JA Lercher. 2015. "Sealed Rotors for In Situ High Temperature High Pressure MAS NMR." Chemical Communications 51(70):13458-13461. DOI: 10.1039/c5cc03910j

• Research Highlight: Going to Extremes with Zirconia

Hulley E, N Kumar, S Raugei, and RM Bullock. 2015. "Manganese-Based Molecular Electrocatalysts for Oxidation of Hydrogen." ACS Catalysis 5(11):6838-6847. DOI: 10.1021/acscatal.5b01751

Johnson GE, AM Olivares, DE Hill, and J Laskin. 2015. "Cationic Gold Clusters Ligated with Differently Substituted Phosphines: Effect of Substitution on Ligand Reactivity and Binding." Physical Chemistry Chemical Physics 17(22):14636-14646. DOI: 10.1039/C5CP01686J

Johnson GE, RJ Colby, and J Laskin. 2015. "Soft Landing of Bare Nanoparticles with Controlled Size, Composition, and Morphology." Nanoscale 7(8):3491-3503. DOI: 10.1039/C4NR06758D

• Research Highlight: The Softer Side of Control without Clumping or Capping

Johnson GE, RJ Colby, MH Engelhard, DW Moon, and J Laskin. 2015. "Soft Landing of Bare PtRu Nanoparticles for Electrochemical Reduction of Oxygen." Nanoscale 7(29):12379-12391. DOI: 10.1039/C5NR03154K

Jones SB, LJ Snowden-Swan, PA Meyer, AH Zacher, MV Olarte, and C Drennan. 2015. Fast Pyrolysis and Hydrotreating: 2014 State of Technology R&D and Projections to 2017. PNNL-24176, Pacific Northwest National Laboratory, Richland, WA.

Kasakov, S, C Zhao, E Baráth, ZA Chase, JL Fulton, DM Camaioni, A Vjunov, H Shi, JA Lercher. 2015. "Glucose- and Cellulose-Derived Ni/C-SO₃H Catalysts for Liquid Phase Phenol Hydrodeoxygenation." Chemistry: A European Journal 21: 1567-1577. DOI: 10.1002/chem.201405242

Kerisit SN, PP Zarzycki, and KM Rosso.  2015.  "Computational Molecular Simulation of the Oxidative Adsorption of Ferrous Iron at the Hematite (001)-Water Interface." Journal of Physical Chemistry C 119:9242-9252. DOI: 10.1021/jp512422h

Kochem A, MJ O'Hagan, ES Wiedner, and M van Gastel. 2015. "Combined Spectroscopic and Electrochemical Detection of a NiI•••H-N Bonding Interaction with Relevance to Electrocatalytic H₂ Production."  Chemistry - A European Journal 21(29):10338-10347. DOI: 10.1002/chem.201500954

Kovarik L, ME Bowden, D Shi, NM Washton, A Anderson, JZ Hu, J Lee, J Szanyi, JH Kwak, and CHF Peden. 2015. "Unraveling the Origin of Structural Disorder in High Temperature Transition Al₂O₃: Structure of θ-Al₂O₃." Chemistry of Materials. DOI: 10.1021/acs.chemmater.5b02523

Labios LA, CJ Weiss, JD Egbert, S Lense, RM Bullock, WG Dougherty, WS Kassel, and MT Mock. 2015. "Synthesis and Protonation Studies of Molybdenum(0) Bis(dinitrogen) Complexes Supported by Diphosphine Ligands Containing Pendant Amines." Zeitschrift für anorganische und allgemeine Chemie 641:105-117. DOI: 10.1002/zaac.201400119

• Research Highlight: Building the Ideal Rest Stop for Protons

Labios LA, ZM Heiden, and MT Mock. 2015. "Electronic and Steric Influences of Pendant Amine Groups on the Protonation of Molybdenum Bis(Dinitrogen) Complexes." Inorganic Chemistry 54:4409-4422. DOI: 10.1021/acs.inorgchem.5b00209

Lee MS, BP McGrail, RJ Rousseau, and VA Glezakou. 2015. "Structure, Dynamics and Stability of Water/scCO₂/Mineral Interfaces from Ab Initio Molecular Dynamics Simulations." Scientific Reports 5:Article No. 14857. DOI: 10.1038/srep14857

Li B, L Ou, Q Dang, PA Meyer, SB Jones, RC Brown, and M Wright. 2015. "Techno-economic and Uncertainty Analysis of In Situ and Ex Situ Fast Pyrolysis for Biofuel Production." Bioresource Technology 196:49-56. DOI: 10.1016/j.biortech.2015.07.073

Li T, S Benyahia, J Dietiker, J Musser, and X Sun. 2015. "A 2.5D Computational Method to Simulate Cylindrical Fluidized Beds." Chemical Engineering Science 123:236-246. DOI: 10.1016/j.ces.2014.11.022

Li WZ, F Gao, Y Li, ED Walter, J Liu, CHF Peden, and Y Wang. 2015. "Nanocrystalline Anatase Titania Supported Vanadia Catalysts: Facet-dependent Structure of Vanadia." Journal of Physical Chemistry C 119(27):15094-15102. DOI: 10.1021/acs.jpcc.5b01486

Lim M, M Hu, S Manandhar, A Sakshaug, A Strong, L Riley, and PJ Pauzauskie. 2015. "Ultrafast Sol-Gel Synthesis of Graphene Aerogel Materials." Carbon 95:616-624. DOI: 10.1016/j.carbon.2015.08.037

Liu T, Q Liao, M O'Hagan, EB Hulley, DL DuBois, and RM Bullock. 2015. "Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H₂." Organometallics 34:2747-2764. DOI: 10.1021/om501289f

Luo J, F Gao, AM Karim, P Xu, ND Browning, and CHF Peden.  2015.  "Advantages of MgAlO_x over Gamma-Al₂O₃ as a Support Material for Potassium-Based High Temperature Lean NO_x Traps." ACS Catalysis 5(8):4680-4689. DOI: 10.1021/acscatal.5b00542

Mehdi BL, J Qian, E Nasybulin, DA Welch, C Park, R Faller, HS Mehta, WA Henderson, W Xu, JE Evans, J Liu, J Zhang, KT Mueller, and ND Browning. 2015. "Quantification of Electrochemical Nanoscale Processes in Lithium Batteries By OperandoEC-(S)TEM."  In Electrochemical Society Meeting. The Electrochemical Society, Pennington, NJ. DOI: AbstractMA2015-03 432

Miranda BC, RJ Chimentao, J Szanyi, AH Braga, JBO Santos, F Gispert-Guirado, J Llorca, and F Medina. 2015. "Influence of Copper on Nickel-Based Catalysts in the Conversion of Glycerol." Applied Catalysis. B, Environmental 166-167:166-180. DOI: 10.1016/j.apcatb.2014.11.019

Mock MT, AW Pierpont, JD Egbert, M O'Hagan, S Chen, RM Bullock, WG Dougherty, WS Kassel, and R Rousseau. 2015. "Protonation Studies of a Mono-Dinitrogen Complex of Chromium Supported by a 12-Membered Phosphorus Macrocycle Containing Pendant Amines." Inorganic Chemistry 54, 4827–4839. DOI: 10.1021/acs.inorgchem.5b00351

Motkuri RK, PK Thallapally, HV Annapureddy, LX Dang, R Krishna, SK Nune, CA Fernandez, J Liu, and BP McGrail. 2015. "Separation of Polar Compounds using a Flexible Metal-Organic Framework." Chemical Communications 51(40):8421-8424. DOI: 10.1039/c5cc00113g

Myers TL, CS Brauer, YF Su, TA Blake, RG Tonkyn, AB Ertel, TJ Johnson, and RL Richardson. 2015. "Quantitative Reflectance Spectra of Solid Powders as a Function of Particle Size." Applied Optics 54(15):4863-4875. DOI: 10.1364/AO.54.004863

Novotny Z, FP Netzer, and Z Dohnálek. 2015. "Graphene/Ru(0001): Intercalation of Oxygen via Spillover." ACS Nano 9(2015):8617-8626. DOI: 10.1021/acsnano.5b03987

• Research Highlight: Please Do Spill the Oxygen

Parent LR, PJ Cappillino, DB Robinson, RJ Hartnett, P Abellan Baeza, JE Evans, ND Browning, and I Arslan.  2015.  "In Situ Observation of Directed Nanoparticle Aggregation During the Synthesis of Ordered Nanoporous Metal in Soft Templates."  Chemistry of Materials 26:1426-1433. DOI: 10.1021/cm4035209

Peterson SM, ML Helm, and AM Appel. 2015. "Nickel Complexes of a Binucleating Ligand Derived from an SCS Pincer." Dalton Transactions 44:747-752. DOI: 10.1039/C4DT02718C

Petrik NG, MA Henderson, and GA Kimmel. 2015. "Insights into Acetone Photochemistry on Rutile TiO₂(110). 1. Off-Normal CH₃ Ejection from Acetone Diolate." Journal of Physical Chemistry C 119(22):12262-12272. DOI: 10.1021/acs.jpcc.5b02477

Petrik NG, MA Henderson, and GA Kimmel. 2015. "Insights into Acetone Photochemistry on Rutile TiO₂(110). 2. New Photodesorption Channel for High Acetone Coverages." Journal of Physical Chemistry C 119(22):12273-12282. DOI: 10.1021/acs.jpcc.5b02478

Priyadarshani N, B Ginovska-Pangovska, JT Bays, JC Linehan, and WJ Shaw. 2015. "Photoswitching a Molecular Catalyst to Regulate CO₂ Hydrogenation." Dalton Transactions 44(33):14854-14864. DOI: 10.1039/c5t01649e

Qian J, W Xu, P Bhattacharya, MH Engelhard, WA Henderson, Y Zhang, and J Zhang. 2015. "Dendrite-Free Li Deposition Using Trace-Amounts of Water as an Electrolyte Additive." Nano Energy 15:135-144. DOI: 10.1016/j.nanoen.2015.04.009

Ramasamy KK, MJ Gray, HM Job, DM Santosa, XS Li, A Devaraj, AJ Karkamkar, and Y Wang. 2015. "Role of Calcination Temperature on the Hydrotalcite Derived MgO-Al₂O₃ in Converting Ethanol to Butanol." In Topics in Catalysis. Presented at 2015 AIChE Annual Meeting, November 8-13, Salt Lake City, Utah.

Raugei S, DL DuBois, RJ Rousseau, S Chen, MH Ho, RM Bullock, and M Dupuis. 2015. "Towards Molecular Catalysts by Computer." Accounts of Chemical Research 48(2):248-255. DOI: 10.1021/ar500342g

• Research Highlight: Adventure Planning, Catalyst Style

Ribeiro F, N Delgass, R Gounder, WF Schneider, J Miller, A Yezerets, JS McEwen, CHF Peden, and K Howden. 2015. Understanding NOx SCR Mechanism and Activity on Cu/Chabazite Structures throughout the Catalyst Life Cycle. PNNL-23856, Pacific Northwest National Laboratory, Richland, WA.

Rigsby ML, DJ Wasylenko, ML Pegis, and JM Mayer. 2015. "Medium Effects Are as Important as Catalyst Design for Selectivity in Electrocatalytic Oxygen Reduction by Iron-Porphyrin Complexes" Journal of the American Chemical Society 137:4296-4299. DOI: 10.1021/jacs.5b00359

• Research Highlight: No Catalyst Is an Island

Santhanagopalan D, DK Schreiber, DE Perea, R Martens, Y Janssen, P Kalifah, and YS Meng. 2015. "Effects of Laser Energy and Wavelength on the Analysis of LiFePO₄ Using Laser Assisted Atom Probe Tomography."  Ultramicroscopy 148:57-66. DOI: 10.1016/j.ultramic.2014.09.004

Schubert DM, D Neiner, ME Bowden, SM Whittemore, JD Holladay, Z Huang, and T Autrey. 2015. "Capacity Enhancement of Aqueous Borohydride Fuels for Hydrogen Storage in Liquids." Journal of Alloys and Compounds 645(Supplement 1):S196-S199. DOI: 10.1016/j.jallcom.2015.01.063

Shaw WJ. 2015. Early Career: Catalyst Biomimics: A novel approach in catalyst design. PNNL-24456, Pacific Northwest National Laboratory, Richland, WA.

• Research Highlight: Mimicking Biology to Create Fast, Efficient Catalysts

Shi H, JA Lercher, and XY Yu. 2015. "Sailing into Uncharted Waters: Recent Advances in the In Situ and Time-Resolved Detection of Catalytic Processes in Aqueous Environments." Catalysis Science & Technology 5(6):3021-3426. DOI: 10.1039/C4CY01720J

• Research Highlight: Sailing Through Uncharted Waters to Discover Catalysts' Secrets

Song W, Y Liu, E Barath, C Zhao, JA Lercher. 2015. "Synergistic effects of Ni and acid sites for hydrogenation and C-O bond cleavage of substituted phenols." Green Chemistry 17: 1204-1218. DOI: 10.1039/C4GC01798F

Sun J, AM Karim, D Mei, M Engelhard, X Bao, Y Wang. 2015. "New Insights into Reaction Mechanisms of Ethanol Steam Reforming on Co-ZrO2." Applied Catalysis B: Environmental 162:141-148. DOI: 10.1016/j.apcatb.2014.06.043

Szanyi J, and JH Kwak. 2015. "Photo-Catalytic Oxidation of Acetone on a TiO₂ Powder: An in situ FTIR Investigation." Journal of Molecular Catalysis. A, Chemical. 406:213-223. DOI: 10.1016/j.molcata.2015.05.025

Thomas M, K Kleese van Dam, MJ Marshall, AP Kuprat, JP Carson, CS Lansing, ZC Guillen, EA Miller, I Lanekoff, and J Laskin. 2015. "Towards Adaptive, Streaming Analysis of X-Ray Tomography Data." Synchrotron Radiation News 28(2):10-14.

Vijayakumar M, Z Nie, ED Walter, JZ Hu, J Liu, VL Sprenkle, and W Wang. 2015. "Understanding Aqueous Electrolyte Stability through Combined Computational and Magnetic Resonance Spectroscopy: A Case Study on Vanadium Redox Flow Battery Electrolytes." ChemPlusChem 80(2):428-437. DOI: 10.1002/cplu.201402139

Vjunov A, JL Fulton, DM Camaioni, SD Burton, I Arslan, and JA Lercher. 2015. "The Impact of Aqueous Medium on Zeolite Framework Integrity." Journal of the American Chemical Society 27(9):3533–3545. DOI: 10.1021/acs.chemmater.5b01238

Wang CM. 2015. "In Situ Transmission Electron Microscopy and Spectroscopy Studies of Rechargeable Batteries Under Dynamic Operating Conditions: A Retrospective and Perspective View." Journal of Materials Research 30(3):326-339. DOI: 10.1557/jmr.2014.281

Wang Q, J Zheng, ED Walter, H Pan, D Lu, P Zuo, H Chen, Z Deng, BY Liaw, X Yu, X Yang, J Zhang, J Liu, and J Xiao. 2015. "Direct Observation of Sulfur Radicals as Reaction Media in Lithium Sulfur Batteries." Journal of the Electrochemical Society 162(3):A474-A478. DOI: 10.1149/2.0851503jes

Wang X, H Shi, JH Kwak, and J Szanyi. 2015. "Mechanism of CO₂ Hydrogenation on Pd/Al₂O₃ Catalysts: Kinetics and Transient DRIFTS-MS Studies." ACS Catalysis 5:6337-6349. DOI: 10.1021/acscatal.5b01464

• Research Highlight: The Catalyst's Choice

Wang Z, B Liu, E Zhao, K Jin, Y Du, JJ Neeway, JV Ryan, D Hu, H Zhang, M Hong, S Le Guernic, S Thevuthasan, F Wang, and Z Zhu. 2015. "Argon Cluster Sputtering Source for ToF-SIMS Depth Profiling of Insulating Materials: High Sputter Rate and Accurate Interfacial Information." Journal of the American Society for Mass Spectrometry 26(8):1283-1290. DOI: 10.1007/s13361-015-1159-1

Wei X, G Xia, BW Kirby, EC Thomsen, B Li, Z Nie, GL Graff, J Liu, VL Sprenkle, and W Wang. 2015. "An Aqueous Redox Flow Battery Based on Neutral Alkali Metal Ferri/ferrocyanide and Polysulfide Electrolytes." Journal of the Electrochemical Society 163(1):A5150-A5153. DOI: 10.1149/2.0221601jes

Wei X, W Xu, J Huang, L Zhang, ED Walter, CW Lawrence, M Vijayakumar, WA Henderson, TL Liu, L Cosimbescu, B Li, VL Sprenkle, and W Wang. 2015. "Radical Compatibility with Nonaqueous Electrolytes and Its Impact on an All-Organic Redox Flow Battery."  Angewandte Chemie International Edition.  DOI: 10.1002/ange.201501443

Weiss CJ, ES Wiedner, JA Roberts, and AM Appel. 2015. "Nickel Phosphine Catalysts with Pendant Amines for Electrocatalytic Oxidation of Alcohols." Chemical Communications 51(28):6172-6174.  DOI: 10.1039/C5CC01107H

Welch DA, TJ Woehl, C Park, R Faller, JE Evans, and ND Browning. 2015. "Understanding the Role of Solvation Forces on the Preferential Attachment of Nanoparticles in Liquid." ACS Nano. DOI: 10.1021/acsnano.5b06632

Xiang H, D Mei, P Yan, P Bhattacharya, SD Burton, AV Cresce, R Cao, MH Engelhard, ME Bowden, Z Zhu, B Polzin, CM Wang, K Xu, J Zhang, and W Xu. 2015. "The Role of Cesium Cation in Controlling Interphasial Chemistry on Graphite Anode in Propylene Carbonate-Rich Electrolytes." ACS Applied Materials & Interfaces 7(37):20687-20695. DOI: 10.1021/acsami.5b05552

Xu P, J Lu, C Aydin, LM Debefve, ND Browning, CY Chen, and BC Gates. 2015. "Imaging Individual Lanthanum Atoms in zeolite Y by Scanning Transmission Electron Microscopy: Evidence of Lanthanum Pair Sites." Microporous and Mesoporous Materials 213:95-99. DOI: 10.1016/j.micromeso.2015.04.008

Yan P, J Zheng, D Lv, Y Wei, J Zheng, Z Wang, S Kuppan, J Yu, L Luo, DJ Edwards, MJ Olszta, K Amine, J Liu, J Xiao, F Pan, G Chen, J Zhang, and CM Wang. 2015. "Atomic-resolution Visualization of Distinctive Chemical Mixing Behavior of Ni, Co and Mn with Li in Layered Lithium Transition Metal Oxide Cathode Materials." Chemistry of Materials 82(7):2599-2607. DOI: 10.1021/ac902089f

Yang H, G Hasand, AJ Cornish, JJ Moran, HW Kreuzer, N Ostrom, and EL Hegg. 2015. "Isotopic Fractionation Associated with [NiFe]- and [FeFe]-Hydrogenases." Rapid Communications in Mass Spectrometry (30):285-292. DOI: 10.1002/rcm.7432

Yoon Y, Y Du, JC Garcia, Z Zhu, Z Wang, NG Petrik, GA Kimmel, Z Dohnalek, MA Henderson, RJ Rousseau, NA Deskins, and I Lyubinetsky. 2015. "Anticorrelation between Surface and Subsurface Point Defects and the Impact on the Redox Chemistry of TiO₂(110)." ChemPhysChem 16(2):313-321. DOI: 10.1002/cphc.201402599

Yoon Y, YG Wang, R Rousseau, VA Glezakou. 2015. "Impact of Nonadiabatic Charge Transfer on the Rate of Redox Chemistry of Carbon Oxides on Rutile TiO₂(110) Surface." ACS Catalysis 5(3):1764-1771. DOI: 10.1021/cs501873m

Zhang L, Z Lu, LA Velarde Ruiz Esparza, L Fu, Y Pu, SY Ding, AJ Ragauskas, HF Wang, and B Yang. 2015. "Vibrational Spectral Signatures of Crystalline Cellulose Using High Resolution Broadband Sum Frequency Generation Vibrational Spectroscopy (HR-BB-SFG-VS)."  Cellulose 22(3):1469-1484. DOI: 10.1007/s10570-015-0588-0

Zhang Y, S Mukamel, M Khalil, and N Govind. 2015. "Simulating Valence-to-Core X-ray Emission Spectroscopy of Transition Metal Complexes with Time-Dependent Density Functional Theory." Journal of Chemical Theory and Computation. DOI: 10.1021/acs.jctc.5b00763

Zhao Z, S Xu, MY Hu, X Bao, CHF Peden, and JZ Hu. 2015. "Investigation of Aluminum Site Changes of Dehydrated Zeolite H-Beta during a Rehydration Process by High Field Solid State NMR."  Journal of Physical Chemistry C 119(3):1410-1417. DOI: 10.1021/jp509982r

Zhi Y, H Shi, L Mu, Y Liu, D Mei, DM Camaioni, and JA Lercher. 2015. "Dehydration Pathways of 1-Propanol on HZSM-5 in the Presence and Absence of Water." Journal of the American Chemical Society 137(50):15781-15794. DOI: 10.1021/jacs.5b09107

• Research highlight: A Watery Roadblock in the Pathway to Biofuels

Zhong X, L Liu, Y Jiang, X Wang, G Zhuang, X Li, D Mei, J Wang, and DS Su. 2015. "Synergistic Effect of Nitrogen in Cobalt Nitride and Nitrogen-Doped Hollow Carbon Spheres for Oxygen Reduction Reaction." ChemCatChem 7(12):1826-1832. DOI: 10.1002/cctc.201500195

Zhong X, L Wang, H Zhou, Y Qin, W Xu, Y Jiang, Y Sun, Z Shi, G Zhuang, X Li, D Mei, and J Wang. 2015. "In Situ Fabrication of PtCo Alloy Embedded in Nitrogen-Doped Graphene Nanopores as Synergistic Catalyst for Oxygen Reduction Reaction." Advanced Materials Interfaces 2(17):Article No. 1500365. DOI: 10.1002/admi.201500365

Zhou H, X Chen, L Wang, X Zhong, G Zhuang, X Li, D Mei, and J Wang. 2015. "Effect of Graphene with Nanopores on Metal Clusters." Physical Chemistry Chemical Physics 17(37):24420-24426. DOI: 10.1039/c5cp04368a

Dutta A, S Lense, JAS Roberts, ML Helm, and WJ Shaw. 2015. "The Role of Solvent and the Outer Coordination Sphere on H₂ Oxidation Using [Ni(P^Cy₂N^Pyz₂)₂]²⁺." European Journal of Inorganic Chemistry 2015:5218-5225. DOI: 10.1002/ejic.201500732

2014

Abellan Baeza P, TJ Woehl, LR Parent, ND Browning, I Arslan, and JE Evans. 2014. "Factors Influencing Quantitative Liquid (Scanning) Transmission Electron Microscopy." Chemical Communications 50:4873-80. DOI: 10.1039/c3cc48479c

Alexandrov VY, and KM Rosso. 2014. "Electron Transport in Pure and Substituted Iron Oxyhydroxides by Small-Polaron Migration." Journal of Chemical Physics 140:234701. DOI: 10.1063/1.4882065

Andersen A, SM Kathmann, MA Lilga, KO Albrecht, RT Hallen, and D Mei. 2014. "Effects of Potassium Doping on CO Hydrogenation Over MoS₂ Catalysts: A First-Principles Investigation." Catalysis Communications 52:92-97. DOI: 10.1016/j.catcom.2014.02.011

Appel AM and ML Helm. 2014. "Determining the Overpotential for a Molecular Electrocatalyst." ACS Catalysis 4(2):630-633. DOI: 10.1021/cs401013v

• Research highlight: Researchers Propose a Common Yardstick to the Efficiency of Molecular Electrocatalysts

Appel AM. 2014. "Carbon-Fuelled Future."  Chemistry and Industry 78(4):36-39. DOI: 10.1002/cind.784_11.x

Appel AM. 2014. "Electrochemistry: Catalysis at the Boundaries." Nature 508:460-461. DOI: 10.1038/nature13226

Baer D, M Barteau, P Balbuena, C Jones, J Liu, S Meng, C Peden, J Rehr, C Tway, S Scott, and S Whittingham. 2014. Energy Materials and Processes, An EMSL Science Theme Advisory Panel Workshop. PNNL-23865, Pacific Northwest National Laboratory, Richland, WA.

Bays JT, N Priyadarshani, MS Jeletic, EB Hulley, DL Miller, JC Linehan, WJ Shaw. 2014. "The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)₂ CO₂ Hydrogenation Catalysts." ACS Catalysis 4(10):3663-3670. DOI: 10.1021/cs5009199

Blacquiere JM, ML Pegis, S Raugei, W Kaminsky, A Forget, S Cook, T Taguchi, AS Borovik, and JM Mayer. 2014. "Synthesis and Reactivity of Tripodal Complexes Containing Pendant Bases." Inorganic Chemistry 53(17):9242-9253. DOI: 10.1021/ic5013389

Bullock RM, AM Appel, and ML Helm. 2014. "Production of Hydrogen by Electrocatalysis: Making the H-H Bond by Combining Protons and Hydrides." Chemical Communications50:3125-3143. DOI:10.1039/C3CC46135A.

• Research Highlight: Uncovering the Details of Proton Relays Vital to Creating New Catalysts for Energy Storage

Bullock RM. 2014. "Molecular Electrocatalysts for Production and Oxidation of Hydrogen." The Catalyst Review: Technical & Commercial Progress in the Global Catalytic Process Industries 27(12):18.

Cao R, ED Walter, W Xu, EN Nasybulin, P Bhattacharya, ME Bowden, MH Engelhard, and J Zhang. 2014. "The Mechanism of Oxygen Reduction and Evolution Reactions Mechanisms in Nonaqueous Lithium-Oxygen Batteries." ChemSusChem. DOI: 10.1002/cssc.201402315

Chen S, MH Ho, RM Bullock, DL DuBois, M Dupuis, RJ Rousseau, and S Raugei. 2014. "Computing Free Energy Landscapes: Application to Ni-based Electrocatalysts with Pendant Amines for H₂ Production and Oxidation." ACS Catalysis 4(1):229-242. DOI: 10.1021/cs401104w

• Research Highlight: Predicting Potholes on the Road to Renewable Energy

Chen L, Z Li, RS Smith, BD Kay, Z Dohnálek. 2014. "Conversion of 1,2-Propylene Glycol on Rutile TiO₂(110)." The Journal of Physical Chemistry C 118:15339-15347. DOI: 10.1021/jp504770f

Chen L, Z Li, RS Smith, BD Kay, Z Dohnálek. 2014. "Conversion of 1,3-Propylene Glycol on Rutile TiO₂(110)." The Journal of Physical Chemistry C 118:23181-23188. DOI:10.1021/jp507787m

Chen L, Z Li, RS Smith, BD Kay, Z Dohnalek, Z. 2014. "Molecular Hydrogen Formation from Proximal Glycol Pairs on TiO₂(110)." Journal of The American Chemical Society 136:5559-5562. DOI: 10.1021/ja500992b

Collett JR, PA Meyer, and SB Jones. 2014. Preliminary Economics for Hydrocarbon Fuel Production from Cellulosic Sugars. PNNL-23374, Pacific Northwest National Laboratory, Richland, WA.

Dagle RA, JA Lizarazo Adarme, VMC Lebarbier, MJ Gray, JF White, DL King, and DR Palo. 2014. "Syngas Conversion to Gasoline-Range Hydrocarbons over Pd/ZnO/Al₂O₃ and ZSM-5 Composite Catalyst System." Fuel Processing Technology 123:65-74. DOI: 10.1016/j.fuproc.2014.01.041

Darkins R, ML Sushko, J Liu, and DM Duffy. 2014. "Stress in Titania Nanoparticles: An Atomistic Study." Physical Chemistry Chemical Physics 16:9441-9447. DOI: 10.1039/c3cp54357a

Darmon, JM, S Raugei, T Liu, EB Hulley, CJ Weiss, RM Bullock, and ML Helm. 2014. "Iron Complexes for the Electrocatalytic Oxidation of Hydrogen: Tuning Primary and Secondary Coordination Spheres." ACS Catalysis 4(4):1246-1260. DOI: 10.1021/cs500290w

Das AK, RM Bullock, JA Roberts, and MH Engelhard. 2014. "A Hydrogen-Evolving Ni(P₂N₂)₂ Electrocatalyst Covalently Attached to a Glassy Carbon Electrode: Preparation, Characterization, and Catalysis. Comparisons With the Homogeneous Analog." Inorganic Chemistry 53(13):6875-6885. DOI: 10.1021/ic500701a

Das P, RM Stolley, EF van der Eide, and ML Helm. 2014. "A Ni^II-Bis(Diphosphine)-Hydride Complex Containing Proton Relays - Structural Characterization and Electrocatalytic Studies." European Journal of Inorganic Chemistry 2014:4611-4618. DOI: 10.1002/ejic.201402250

Das PP, MH Ho, MJ O'Hagan, WJ Shaw, S Raugei, RM Bullock, and ML Helm. 2014. "Controlling Proton Movement: Electrocatalytic Oxidation of Hydrogen by a Nickel(II) Complex Containing Proton Relays in the Second and Outer Coordination." Dalton Transactions 43(7):2744-2754. DOI: 10.1039/c3dt53074d

• Research Highlight: Revving Up Catalysts by Building in Proton-Only Offramp

Davidson SD, J Sun, Y Hong, AM Karim, AK Datye, Y Wang. "The effect of ZnO Addition on Co/C Catalyst for Vapor and Aqueous Phase Reforming of Ethanol." Catalysis Today 233:38-45. DOI: 10.1016/j.cattod.2013.12.044

Dixon DA, A Katz, I Arslan, and BC Gates. 2014. "Beyond Relationships Between Homogeneous and Heterogeneous Catalysis." Catalysis Letters 144(11):1785-1789. DOI: 10.1007/s10562-014-1332-3

DuBois, DL. 2014. "Development of Molecular Electrocatalysts for Energy Storage." Inorganic Chemistry 53(8):3935-3960. DOI: 10.1021/ic4026969

• Research Highlight: The Science of Creating Catalysts for Energy Storage

Dutta A, JAS Roberts, and WJ Shaw. 2014. "Arginine-Containing Ligands Enhance H₂ Oxidation Catalyst Performance." Angewandte Chemie International Edition 53:6487-6491. DOI: 10.1002/anie.201402304

• Research Highlight: Getting into the Fast Lane Means Minor Adjustments Far from the Catalyst's Core

El-Khoury PZ, K Honkala, and WP Hess. 2014. "Electronic and Vibrational Properties of Meso-Tetraphenylporphyrin on Silver Substrates." Journal of Physical Chemistry A 118(37):8115-8123. DOI: 10.1021/jp412360b

Elliott DC, H Wang, and DM Santosa. 2014. Hydrotreating of bioCRACK Products Oils. PNNL-23339, Pacific Northwest National Laboratory, Richland, WA.

Fang M, ES Wiedner, WG Dougherty, WS Kassel, T Liu, DL DuBois, and RM Bullock. 2014. "Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H₂ Production." Organometallics 33:5820-5833. DOI: 10.1021/om5004607

Fang M, MH Engelhard, Z Zhu, ML Helm, and JA Roberts. 2014. "Electrodeposition from Acidic Solutions of Nickel Bis(benzenedithiolate) Produces a Hydrogen-Evolving Ni-S Film on Glassy Carbon." ACS Catalysis 4(1):90-98. DOI: 10.1021/cs400675u

Fang, Z, Z Li, MS Kelley, BD Kay, S Li, JM Hennigan, R Rousseau, Z Dohnálek, DA Dixon. 2014. "Oxidation, Reduction, and Condensation of Alcohols over (MO₃)₃ (M = Mo, W) Nanoclusters."The Journal of Physical Chemistry C" 118: 22620-22634. DOI: 10.1021/jp5072132

Galan, BR, ES Wiedner, ML Helm, JC Linehan, and AM Appel. 2014. "Effects of Phosphine-Carbene Substitutions on the Electrochemical and Thermodynamic Properties of Nickel Complexes." Organometallics 33:2287-2294. DOI: 10.1021-om500206e.

Gao F, ED Walter, M Kollar, Y Wang, J Szanyi, and CHF Peden. 2014. "Understanding Ammonia Selective Catalytic Reduction Kinetics over Cu-SSZ-13 from Motion of the Cu Ions." Journal of Catalysis 319:1-14. DOI: 10.1016/j.cat.2014.8.010

Gao F, ED Walter, NM Washton, J Szanyi, and CHF Peden. 2014. "Synthesis and Evaluation of Cu-SAPO-34 Catalysts for NH₃-SCR. 2: Solid-State Ion Exchange and One-Pot Synthesis." Applied Catalysis. B, Environmental 162:501-514. DOI: 10.1016/j.apcatb.2014.07.029

Ghosh, S, S Horvath, AV Soudackov, and S Hammes-Schiffer. 2014. "Electrochemical Solvent Reorganization Energies in the Framework of the Polarizable Continuum Model." Journal of  Chemical Theory and Computation 10:2091-2102. DOI: 0.1021/ct500051e

Ginovska-Pangovska B, A Dutta, ML Reback, and JC Linehan, and WJ Shaw. 2014. "Beyond the Active Site: The Impact of the Outer Coordination Sphere on Electrocatalysts for Hydrogen Production and Oxidation." Accounts of Chemical Research [epub ahead of print]. DOI: 10.1021/ar5001742

Gunaratne KDD, GE Johnson, A Andersen, D Du, W Zhang, V Prabhakaran, Y Lin, and J Laskin. 2014. "Controlling the Charge State and Redox Properties of Supported Polyoxometalates via Soft Landing of Mass Selected Ions." Journal of Physical Chemistry C 118(48):27611-27622. DOI: 10.1021/jp505050m

• Research Highlight: Electron-Rich Ions Retain Charge When Softly Landed

He J, C Zhao, D Mei, and JA Lercher. 2014. "Mechanisms of Selective Cleavage of C-O Bonds in Di-aryl Ethers in Aqueous Phase." Journal of Catalysis 309:280-290. DOI: 10.1016/j.jcat.2013.09.012

He J, C Zhao, JA Lercher, 2014. "Impact of Solvent for Individual Steps of Phenol Hydrodeoxygenation with Pd/C and HZSM-5 as catalysts." Journal of Catalysis 309: 362-375. DOI: 10.1016/j.jcat.2013.09.009

He J, L Lu, C Zhao, D Mei, and JA Lercher. 2014. "Mechanisms of Catalytic Cleavage of Benzyl Phenyl Ether in Aqueous and Apolar Phases." Journal of Catalysis 311:41-51. DOI: 10.1016/j.jcat.2013.10.024

Heiden, ZM, S Chen, LA Labios, RM Bullock, ED Walter, EL Tyson, and MT Mock. 2014. "Proton and Electron Additions to Iron(II) Dinitrogen Complexes Containing Pendant Amines." Organometallics 33(6):1333-1336. DOI: 10.1021/om401089d

Heldebrant DJ. 2014. CO₂-Binding Organic Liquids Gas Capture with Polarity-Swing-Assisted Regeneration Full Technology Feasibility Study B1 - Solvent-based Systems October 1, 2011 through May 30, 2014. PNWD-4432, Battelle-Pacific Northwest Division, Richland, WA.

Helm ML, PP Das, RM Stolley, and EF Van Der Eide. 2014. "A Ni^II-Bis(diphosphine) Hydride Complex Containing Proton Relays: Structural Characterization and Electrocatalytic Studies." European Journal of Inorganic Chemistry [epub ahead of print]. DOI: 10.1002/ejic.201402250

Hensley AJR, Y Wang, JS McEwen. 2014. "Adsorption of Phenol on Fe (110) and Pd (111) from First Principles." Surface Science 630:244-253. DOI: 10.1016/j.susc.2014.08.003

Hou J, M Fang, AJP Cardenas, WJ Shaw, ML Helm, RM Bullock, JAS Roberts, and M O'Hagan. 2014. "Electrocatalytic H₂ Production with a Turnover Frequency >10⁷ s^-1: The Medium Provides an Increase in Rate but Not Overpotential." Energy and Environmental Science 7:4013-4017. DOI: 10.1039/C4EE01899K

• Research Highlight: How to Store Sunlight on a Tight Energy Budget: Add More Protons

Huang C, J Xiao, Y Shao, J Zheng, WD Bennett, D Lu, LV Saraf, MH Engelhard, L Ji, J Zhang, X Li, GL Graff, and J Liu. 2014. "Manipulating the Surface Reactions in Lithium Sulfur Batteries Using Hybrid Anode Structures." Nature Communications 5:3015. DOI: 10.1038/ncomms4015

• Research Highlight: Battery Development May Extend Range of Electric Cars

Hulley EB, ML Helm, and RM Bullock. 2014. "Heterolytic Cleavage of H₂ by Bifunctional Manganese(I) Complexes: Impact of Ligand Dynamics, Electrophilicity, and Base Positioning." Chemical Science 5(12):4729-4741. DOI: 10.1039/c4sc01801j

Jeletic MS, ML Helm, EB Hulley, MT Mock, AM Appel, and JC Linehan.  2014.  "A Cobalt-Hydride Catalyst for the Hydrogenation of CO₂: Pathways for Catalysis and Deactivation." ACS Catalysis 2014(4):3755-3762. DOI: 10.1021/cs.5009927

Johnson GE, T Priest, and J Laskin. 2014. “Size-dependent Stability toward Dissociation and Ligand Binding Energies of Phosphine Ligated Gold Cluster Ions.” Chemical Science 5:3275-3286. DOI: 10.1039/C4SC00849A

• Research Highlight: The Stability of Gold Clusters: Every Ligand Counts

Jones SB, LJ Snowden-Swan, PA Meyer, AH Zacher, MV Olarte, and C Drennan. 2014. Fast Pyrolysis and Hydrotreating 2013 State of Technology R&D and Projections to 2017. PNNL-23294, Pacific Northwest National Laboratory, Richland, WA.

Jones SB, Y Zhu, DB Anderson, RT Hallen, DC Elliott, AJ Schmidt, KO Albrecht, TR Hart, MG Butcher, C Drennan, LJ Snowden-Swan, R Davis, and C Kinchin. 2014. Process Design and Economics for the Conversion of Algal Biomass to Hydrocarbons: Whole Algae Hydrothermal Liquefaction and Upgrading. PNNL-23227, Pacific Northwest National Laboratory, Richland, WA.

Kim B, Z Li, BD Kay, Z Dohnálek, YK Kim. 2014 "Low-Temperature Desorption of N₂O from NO on Rutile TiO₂(110)-1 × 1." Journal of Physical Chemistry C 118(18):9544-9550. DOI: 10.1021/jp501179y

Kim DH, KK Mudiyanselage, J Szanyi, JC Hanson, and CHF Peden. 2014. "Effect of H₂O on the Morphological Changes of KNO₃ Formed on K₂O/Al₂O₃ NO_x Storage Materials: Fourier Transform Infra-Red (FTIR) and Time-Resolved X-Ray Diffraction (TR-XRD) Studies." Journal of Physical Chemistry C 118(8):4189-4197. DOI: 10.1021/jp410816r

King DL, and JT Bays. 2014. "Unconventional Hydrocarbon." In FY 2013 Annual Progress Report Fuel & Lubricant Technologies. U.S. Department of Energy, Richland, WA.

Kovarik L, M Bowden, A Genc, J Szanyi, CHF Peden, JH Kwak. 2014 "Structure of δ-Alumina: Toward the Atomic Level Understanding of Transition Alumina Phases." The Journal of Physical Chemistry C 118(31):18051-18058. DOI: 10.1021/jp500051j

Kovarik L, M Bowden, A Genc, J Szanyi, CHF Peden, JH Kwak. 2014. "Structure of δ-Alumina: Toward the Atomic Level Understanding of Transition Alumina Phases." Journal of Physical Chemistry C 118(31):18051-18058. DOI: 10.1021/jp500051j

• Research Highlight: Weaving a Catalyst

Kumar N, DM Camaioni, M Dupuis, S Raugei, and AM Appel. 2014.  "Mechanistic Insights into Hydride Transfer for Catalytic Hydrogenation of CO₂ with Cobalt Complexes." Dalton Transactions 43(31):11803-11806. DOI: 10.1039/c4dt01551g

Kwak JH, and J Szanyi. 2014. "¹⁵N₂ Formation and Fast Oxygen Isotope Exchange during Pulsed ¹⁵N¹⁸O Exposure of MnO_x/CeO₂." Chemical Communications 50(95):14998-15001. DOI: 10.1039/c4cc05427j

Kwak JH, R Dagle, GC Tustin, JR Zoeller, LF Allard, Y Wang. 2014. "Molecular Active Sites in Heterogeneous Ir-La/C-Catalyzed Carbonylation of Methanol to Acetates."  Journal of Physical Chemistry Letters 5:566-572. DOI:10.1021/jz402728e

Kwak JH, T Varga, CHF Peden, F Gao, JC Hanson, and J Szanyi. 2014. "Following the Movement of Cu Ions in a SSZ-13 Zeolite during Dehydration, Reduction and Adsorption: A Combined In Situ TP-XRD, XANES/DRIFTS Study." Journal of Catalysis 314(1):83-93. DOI: 10.1016/j.jcat.2014.03.003

Laskin J, and P Wang. 2014. "Charge Retention by Organometallic Dications on Self-Assembled Monolayer Surfaces." International Journal of Mass Spectrometry 365-366:187-193. DOI: 10.1016/j.ijms.2014.01.012

Laws DR, RM Bullock, R Lee, KW Huang, and WJ Geiger. 2014. "Comparison of the One-Electron Oxidations of CO-Bridged vs Unbridged Bimetallic Complexes: Electron-transfer Chemistry of Os₂Cp₂(CO)₄ and Os₂Cp*₂(μ-CO)₂(CO)2 (Cp = η⁵-C₅H₅, Cp* = η⁵-C₅Me₅)." Organometallics 33(18):4716-4728. DOI: 10.1021/om401213y

Layfield JP, and S Hammes-Schiffer. 2014. "Hydrogen Tunneling in Enzymes and Biomimetic Models." Chemical Reviews 114:3466-3494. DOI: 10.1021/cr400400p

Lebarbier VMC, RA Dagle, L Kovarik, KO Albrecht, XS Li, L Li, CE Taylor, X Bao, and Y Wang. 2014. "Sorption-Enhanced Synthetic Natural Gas (SNG) Production from Syngas: A Novel Process Combining CO Methanation, Water-Gas Shift, and CO₂ Capture." Applied Catalysis. B, Environmental 144:223-232. DOI: 10.1016/j.apcatb.2013.06.034

Lense S, A Dutta, JAS Roberts, and WJ Shaw. 2014. "A Proton Channel Allows a Hydrogen Oxidation Catalyst to Operate at a Moderate Overpotential with Water Acting as a Base." Chemical Communications 50:792-795. DOI: 10.1039/C3CC46829A

Lewandowska-Androlojc A, DC Grills, J Zhang, RM Bullock, A Miyazawa, Y Kawanishi, and E Fujita. 2014. "Kinetic and Mechanistic Studies of Carbon-to-Metal Hydrogen Atom Transfer Involving Os-Centered Radicals." Journal of the American Chemical Society 135(9):3572-3578. DOI: 10.1021/ja4123076

Li B, M Gu, Z Nie, X Wei, CM Wang, VL Sprenkle, and W Wang. 2014. "Nanorod Niobium Oxide as Powerful Catalysts for an All Vanadium Redox Flow Battery." Nano Letters 14(1):158-165. DOI: 10.1021/nl403674a

Li WZ, L Kovarik, D Mei, MH Engelhard, F Gao, J Liu, Y Wang, CHF  Peden. 2014. "A General Mechanism for Stabilizing the Small Sizes of Precious Metal Nanoparticles on Oxide Supports." Chemistry of Materials 26:5475-5481. DOI:10.1021/cm5013203

Li Y, Z Wei, F Gao, L Kovarik, CHF Peden, and Y Wang. 2014. "Effects of CeO₂ Support Facets on VO_x/CeO₂ Catalysts in Oxidative Dehydrogenation of Methanol." Journal of Catalysis 315(1):15-24. DOI: 10.1016/j.jcat.2014.04.013

Li Z, Z Fang, MS Kelley, BD Kay, R Rousseau, Z Dohnalek, DA Dixon. 2014. "Ethanol Conversion on Cyclic (MO₃)₃ (M = Mo, W) Clusters." The Journal of Physical Chemistry C 118: 4869-4877. DOI: 10.1021/jp500255f

Liu B, XY Yu, Z Zhu, X Hua, L Yang, and Z Wang. 2014. "In Situ Chemical Probing of the Electrode-Electrolyte Interface by ToF-SIMS." Lab on a Chip 14, 855-859. DOI: 10.1039/C3LC50971K

• Research Highlight: Microfluidic Probe Allows Real-Time Imaging of Electrode-Liquid Electrolyte Interface

Liu C, H Wang, AM Karim, J Sun, and Y Wang. 2014. "Catalytic Fast Pyrolysis of Lignocellulosic Biomass." Chemical Society Reviews 43(22):7594-7623. DOI: 10.1039/c3cs60414d

Liu F, G Kolesov, and BA Parkinson. 2014. "Preparation, Applications, and Digital Simulation of Carbon Interdigitated Array Electrodes." Analytical Chemistry 86(15):7391-7398. DOI: 10.1021/ac5019364.

Liu J. 2014. "Charging Graphene for Energy Storage." Nature Nanotechnology 9:739-741. DOI: 10.1038/nnano.2014.233

Liu TL, M Rakowski DuBois, DL DuBois, and RM Bullock. 2014. "Electrochemical Oxidation of H₂ Catalyzed by Ruthenium Hydride Complexes Bearing P₂N₂ Ligands With Pendant Amines as Proton Relays." Energy and Environmental Science 7(11):3630-3639. DOI: 10.1039/C4EE01262C

Liu TL, X Wang, C Hoffmann, DL DuBois, and RM Bullock. 2014. "Heterolytic Cleavage of Hydrogen by an Iron Hydrogenase Model: An Fe-H - - - H-N Dihydorgen Bond Characterized by Neutron Diffraction." Angewandte Chemie International Edition 53(21):5300-5304. DOI: 10.1002/anie.201402090

• Research highlight: Halving Hydrogen

Luo J, F Gao, DH Kim, and CHF Peden.  2014.  "Effects of Potassium Loading and Thermal Aging on K/Pt/Al₂O₃ High-Temperature Lean NOx Trap Catalysts." Catalysis Today 231(1):164-172.  DOI: 10.1016/j.cattod.2013.12.020

Mei D, VA Glezakou, VMC Lebarbier, L Kovarik, H Wan, KO Albrecht, MA Gerber, RJ Rousseau, and RA Dagle. 2014. "Highly Active and Stable MgAl₂O₄ Supported Rh and Ir Catalysts for Methane Steam Reforming: A Combined Experimental and Theoretical Study." Journal of Catalysis 316:11-23. DOI: 10.1016/j.jcat.2014.04.021

• Research highlight: Small but Tough: Iridium Nanoparticles Resist Deactivation in Biofuel Production

Mock MT, ZM Heiden, S Chen, LAN Labios, RM Bullock, ED Walter, and EL Tyson. 2014. "Proton and Electron Additions to Ferrous Dinitrogen Complexes Containing Pendant Amines." Organometallics 33(6):1333-1336. DOI: 10.1021/om401089d

Motkuri RK, HV Annapureddy, M Vijayakumar, BP McGrail, LX Dang, R Krishna, and PK Thallapally. 2014. "Fluorocarbon Adsorption in Hierarchical Porous Frameworks." Nature Communications 5:4368. DOI: 10.1038/ncomms536

• Research highlight: Molecular Mesh Catches a Chill

Motkuri RK, J Liu, CA Fernandez, SK Nune, PK Thallapally, and BP McGrail. 2014. "Metal-Organic Frameworks – Synthesis and Applications." Chapter 3 in Industrial Catalysis and Separations: Innovations for Process Intensification, ed. KV Raghavan and BM Reddy, pp. 61-103. Apple Academic Press Inc., Waretown, NJ.

Nguyen VT, PT Nguyen, LX Dang, D Mei, CD Wick, and DD Do. 2014. "A Comparative Study of the Adsorption of Water and Methanol in Zeolite BEA: A Molecular Simulation Study." Molecular Simulation 40(14):1113-1124. DOI: 10.1080/08927022.2013.848280

Norton JR, T Spataru, DM Camaioni, SJ Lee, G Li, J Choi, JA Franz. 2014. "Kinetics and Mechanism of the Hydrogenation of the CpCr(CO)₃•/[CpCr(CO)₃]₂ Equilibrium to CpCr(CO)₃H." Organometallics 33(10): 2496-2502. DOI: 10.1021/om4012399

Nova I, B Epling, and CHF Peden. 2014. "Preface: Challenges for Catalytic Exhaust Aftertreatment." Catalysis Today 231(1):1-2. DOI: 10.1016/j.cattod.2014.02.017

Olivares AM, J Laskin, and GE Johnson. 2014. "Investigating the Synthesis of Ligated Metal Clusters in Solution Using a Flow Reactor and Electrospray Ionization Mass Spectrometry." Journal of Physical Chemistry A 118(37):8464-8470.  DOI: 10.1021/jp501809r

Pan A, Y Wang, W Xu, Z Nie, S Liang, Z Nie, CM Wang, G Cao, and J Zhang. 2014. "High-Performance Anode Based on Porous Co₃O₄ Nanodiscs." Journal of Power Sources 225:125-129. DOI: 10.1016/j.jpowsour.2013.12.131

Partenheimer W, JL Fulton, CM Sorensen, VT Pham, and Y Chen. 2014. "The Aerobic Oxidation of Bromide to Dibromine Catalyzed by Homogeneous Oxidation Catalysts and Initiated by Nitrate in Acetic Acid." Journal of Molecular Catalysis: A, Chemical 387:130-137. DOI: 10.1016/j.molcata.2014.02.026

Peterson E, A DelaRiva, S Lin, RS Johnson, H Guo, J Miller, JH Kwak, CHF Peden, B Kiefer, LF Allard, F Ribeiro, and AK Datye. 2014. "Low-temperature CO Oxidation Catalyzed by Regenerable Atomically Dispersed Palladium on Alumina." Nature Communications 5:4885. DOI: 10.1038/ncomms5885

• Research highlight: Left Alone, Palladium Atoms Get the Job Done

Petrik NG, and GA Kimmel. 2014. "Probing the Photochemistry of Chemisorbed Oxygen on TiO₂(110) with Kr and Other Co-adsorbates." Physical Chemistry Chemical Physics 16(6):2338-2346. DOI: 10.1039/c3cp54195a

• Research highlight: Krypton Reporter Uncovers Oxygen's Antics

Ramasamy KK, and Y Wang. 2014. "Ethanol Conversion to Hydrocarbons on HZSM-5: Effect of Reaction Conditions and Si/Al Ratio on the Product Distributions." Catalysis Today 237:89-99. DOI: 10.1016/j.cattod.2014.02.044

Ramasamy KK, H Zhang, J Sun, and Y Wang. 2014. "Conversion of Ethanol to Hydrocarbons on Hierarchical HZSM-5 Zeolites." Catalysis Today 238:103-110. DOI: 10.1016/j.cattod.2014.01.037

Reback ML, GW Buchko, BL Kier, B Ginovska-Pangovska, Y Xiong, S Lense, J Hou, JA Roberts, CM Sorensen, S Raugei, TC Squier, and WJ Shaw. 2014. "Electron Design from the Bottom Up: An Active Nickel Electrocatalyst with a Peptide Outer Coordination Sphere." Chemistry - A European Journal 20(6):1510-1514. DOI: 10.1002/chem.201303976

Rousseau RJ, DA Dixon, BD Kay, and Z Dohnalek. 2014. "Dehydration, Dehydrogenation, and Condensation of Alcohols on Supported Oxide Catalysts Based on Cyclic (WO₃)₃ and (MoO₃)₃ Clusters." Chemical Society Reviews 43(22):7664-7680. DOI: 10.1039/c3cs60445d

• Research Highlight: Building Complexity through Collaboration

Shan S, V Petkov, L Yang, J Luo, P Joseph, D Mayzel, B Prasai, L Wang, MH Engelhard, and CJ Zhong. 2014. "Atomic-Structural Synergy for Catalytic CO Oxidation over Palladium-Nickel Nanoalloys." Journal of the American Chemical Society 136(19):7140-7151. DOI: 10.1021/ja5026744

Smith DMA, K Danyal, S Raugei, and LC Seefeldt. 2014. "Substrate Channel in Nitrogenase Revealed by a Molecular Dynamics Approach."  Biochemistry 53(14):2278-2285. DOI: 10.1021/bi401313j

• Research Highlight: Navigating the Nitrogen Passage

Solis, BH, and S Hammes-Schiffer. 2014. "Proton-Coupled Electron Transfer in Molecular Electrocatalysis: Theoretical Methods and Design Principles." Inorganic Chemistry 53:6427-6443. DOI: 10.1021-ic5002896

Sreedhar I, RK Motkuri, and KV Raghavan. 2014. "Microenvironment Management in Heterogeneous Catalysis." Chapter 2 in Industrial Catalysis and Separations: Innovations for Process Intensification, ed. KV Raghavan and BM Reddy, pp. 43-57. Apple Academic Press, Inc., Waretown, NJ.

Stolley RM, and ML Helm. 2014. "Light-harvesting Materials: Soft Support for Energy Conversion." Nature Chemistry 6:949-950. DOI: 10.1038/nchem.2088

Stolley, RM, JM Darmon, and ML Helm. 2014. "Solvent and Electrolyte Effects on Ni(P^R₂N^R'₂)₂-Catalyzed Electrochemical Oxidation of Hydrogen." Chemical Communications 50(28):3681-3684. DOI: 10.1039/C4CC00295D

Sudasinghe N, B Dungan, P Lammers, KO Albrecht, DC Elliott, RT Hallen, and T Schaub. 2014. "High Resolution FT-ICR Mass Spectral Analysis of Bio-oil and Residual Water Soluble Organics Produced by Hydrothermal Liquefaction of the Marine Microalga Nannochloropsis Salina." Fuel 119:47-56. DOI: 10.1016/j.fuel.2013.11.019

Sudasinghe N, JR Cort, RT Hallen, MV Olarte, AJ Schmidt, and T Schaub. 2014. "Hydrothermal Liquefaction Oil and Hydrotreated Product from Pine Feedstock Characterized by Heteronuclear Two-Dimensional NMR Spectroscopy and FT-ICR Mass Spectrometry." Fuel 137:60-69. DOI: 10.1016/j.fuel.2014.07.069

Sun J, Y Wang. 2014. "Recent Advances in Catalytic Conversion of Ethanol to Chemicals." ACS Catalysis 4:1078-1090. DOI: 10.1021/cs4011343

• Research Highlight: State of the Science: Making Plastics from Biomass, Not Fossil Fuels

Szanyi J, and JH Kwak.  2014. "Dissecting the Steps of CO₂ Reduction: 1. The Interaction of CO and CO₂ with γ-Al₂O₃: An In Situ FTIR Study." Physical Chemistry Chemical Physics 16(29):15117-15125. DOI: 10.1039/c4cp00616j

Szanyi J, and JH Kwak.  2014.  "Dissecting the Steps of CO₂ Reduction: 2. The Interaction of CO and CO₂ with Pd/γ-Al₂O₃: An In Situ FTIR Study." Physical Chemistry Chemical Physics 16(29):15126-15138. DOI: 10.1039/C4CP00617H

Tews IJ, and DC Elliott.  2014.  Low-Severity Hydroprocessing to Stabilize Bio-oil: TechnoEconomic Assessment. PNNL-23591, Pacific Northwest National Laboratory, Richland, WA.

Vijayakumar M, B Schwenzer, V Shutthanandan, JZ Hu, J Liu, and IA Aksay. 2014. "Elucidating Graphene - Ionic Liquid Interfacial Region: A Combined Experimental and Computational Study." Nano Energy 3:152-158. DOI: 10.1016/j.nanoen.2012.09.014

Vjunov A, JL Fulton, T Huthwelker, S Pin, D Mei, GK Schenter, N Govind, DM Camaioni, JZ Hu, JA Lercher. 2014 "Quantitatively Probing the Al Distribution in Zeolites." Journal of the American Chemical Society 136(23): 8296-8306. DOI:10.1021/ja501361v

• Research highlight: Creating a GPS for Aluminum Ions

Vjunov A, MY Hu, J Feng, DM Camaioni, D Mei, JZ Hu, C Zhao, and JA Lercher. 2014. "Following Solid-Acid-Catalyzed Reactions by MAS NMR Spectroscopy in Liquid Phase - Zeolite-Catalyzed Conversion of Cyclohexanol in Water." Angewandte Chemie International Edition 53(2):479-482. DOI: 10.1002/anie.201306673

Wang X, Q Cai, G Zhuang, X Zhong, D Mei, and X Li. 2014. "Geometric and Electronic Properties of Graphene Modified by "External" N-Containing Groups." Physical Chemistry Chemical Physics 38:20749-20754. DOI: 10.1039/c4cp03069a

Wei Z, AM Karim, Y Li, DL King, Y Wang. 2014. "Elucidation of the Roles of Re in Steam Reforming of Glycerol Over Pt-Re/C Catalysts." Journal of Catalysis 322:49-59 DOI: 10.1016/j.jcat.2014.11.006

Weiss CJ, JD Egbert, S Chen, ML Helm, RM Bullock, and MT Mock. 2014. "Protonation Studies of a Tungsten Dinitrogen Complex Supported by a Diphosphine Ligand Containing a Pendant Amine." Organometallics 33(9):21859-2200. DOI: 10.1021/om401127v

Weiss CJ, P Das, DL Miller, ML Helm, and AM Appel. 2014. "Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines." ACS Catalysis 4:2951-2958. DOI: 10.1021/cs500853f

White JF, JE Holladay, AH Zacher, JG Frye, and TA Werpy. 2014. "Challenges in Catalytic Manufacture of Renewable Pyrrolidinones from Fermentation Derived Succinate." Topics in Catalysis. DOI: 10.1007/s11244-014-0299-z

Wiedner ES, AM Appel. 2014. "Thermochemical Insight into the Reduction of CO to CH₃OH with [Re(CO)]+ and [Mn(CO)]+ Complexes." Journal of the American Chemical Society 136(24):8661-8668. DOI: 10.1021/ja502316e

Xia G, B Chen, R Zhang, and ZC Zhang. 2014. "Catalytic Hydrolytic Cleavage and Oxy-Cleavage of Lignin Linkages." Journal of Molecular Catalysis A: Chemical. 388-389:35-40. DOI: 10.1016/j.molcata.2013.08.016

Xiao J, P Meduri, H Chen, Z Wang, F Gao, JZ Hu, J Feng, MY Hu, S Dai, S Brown, JL Adcock, Z Deng, J Liu, GL Graff, IA Aksay, and J Zhang. 2014. "Energetics of Defects on Graphene through Fluorination."  ChemSusChem 7(5):1295-1300. DOI: 10.1002/CSSC.201301066

Yadav M, JC Linehan, AJ Karkamkar, E van der Eide, DJ Heldebrant. 2014. "Homogeneous Hydrogenation of CO₂ to Methyl Formate Utilizing Switchable Ionic Liquids." Inorganic Chemistry 53(18): 9849-9854. DOI: 10.1021/ic501378w

Yang L, Z Zhu, XY Yu, G Rodek, LV Saraf, S Thevuthasan, and JP Cowin. 2014. "In Situ SEM and ToF-SIMS Analysis of IgG Conjugated Gold Nanoparticles at Aqueous Surfaces." Surface and Interface Analysis 46(4):224-228. DOI: 10.1002/sia.5252

Ye J, C Liu, D Mei, and Q Ge. 2014. "Methanol Synthesis from CO₂ Hydrogenation over a Pd₄/In₂O₃ Model Catalyst: A Combined DFT and Kinetic Study." Journal of Catalysis 317:44-53. DOI: 10.1016/j.jcat.2014.06.002

Yoon Y, RJ Rousseau, RS Weber, D Mei, and JA Lercher. 2014. "First-Principles Study of Phenol Hydrogenation on Pt and Ni Catalysts in Aqueous Phase." Journal of the American Chemical Society 136(29):10287-10298. DOI: 10.1021/ja501592y

• Research highlight: Water Leads to Chemical that Gunks up Biofuels Production

Zelenyuk A, P Reitz, ML Stewart, D Imre, P Loeper, C Adams, M Andrie, D Rothamer, DE Foster, K Narayanaswamy, PM Najt, and AS Solomon.  2014.  "Detailed Characterization of Particulates Emitted by Pre-Commercial Single-Cylinder Gasoline Compression Ignition Engine."  Combustion and Flame 161(8):2151-2164. DOI: 10.1016/j.combustflame.2014.01.011

Zhang H, J Sun, VL Dagle, B Halevi, AK Datye, Y Wang. 2014. "Influence of ZnO Facets on Pd/ZnO Catalysts for Methanol Steam Reforming." ACS Catalysis 4:2379-2386. DOI: 10.1021/cs500590t

Zhang H, Y Du, P Sushko, ME Bowden, RJ Colby, and SA Chambers. 2014. "Reversible Nano-Structuring of SrCrO_3-δ through Oxidization and Reduction at Low Temperatures." Nature Communications 5, Article number 4669. DOI:10.1038/ncomms5669

Zhang R, JS McEwen, M Kollar, F Gao, Y Wang, J Szanyi, and CHF Peden. 2014. "NO Chemisorption on Cu/SSZ-13: A Comparative Study from Infrared Spectroscopy and DFT Calculations." ACS Catalysis 4(11):4093-4105. DOI: 10.1021/cs500563s

Zhang Z, M Tang, ZT Wang, Z Ke, Y Xia, KT Park, I Lyubinetsky, Z Dohnalek, Q Ge. 2014. "Imaging of Formaldehyde Adsorption and Diffusion on TiO₂(110)." Topics in Catalysis 58(2):103-113 DOI: 10.1007/s11244-014-0349-6

Zhao Z, S Xu, M Hu, X Bao, CHF Peden, JZ Hu. 2014. "Investigation of Aluminum Site Changes of Dehydrated Zeolite H-Beta during a Rehydration Process by High Field Solid State NMR." The Journal of Physical Chemistry C 119(3):1410-1417 DOI: 10.1021/jp509982r

Zheng J, J Tian, D Wu, M Gu, W Xu, CM Wang, F Gao, MH Engelhard, J Zhang, J Liu, and J Xiao. 2014. "Lewis Acid-Base Interactions between Polysulfides and Metal Organic Framework in Lithium Sulfur Batteries." Nano Letters 14(5):2345-2352. DOI: 10.1021/nl404721h

Zhong XY, L Liu, X Wang, H Yu, G Zhuang, D Mei, X Li, and J Wang. 2014. "A Radar-like Iron based Nanohybrid as an Efficient and Stable Electrocatalyst for Oxygen Reduction." Journal of Materials Chemistry A 2(19):6703-6707. DOI: 10.1039/C4TA00647J

Zhu Y, MJ Biddy, SB Jones, DC Elliott, and AJ Schmidt. 2014. "Techno-Economic Analysis of Liquid Fuel Production from Woody Biomass via Hydrothermal Liquefaction (HTL) and Upgrading." Applied Energy 129:384-394. DOI: 10.1016/j.apenergy.2014.03.053

Li WZ, L Kovarik, D Mei, MH Engelhard, F Gao, J Liu, Y Wang, CHF Peden. 2014. "A General Mechanism for Stabilizing the Small Sizes of Precious Metal Nanoparticles on Oxide Supports." Chemistry of Materials. 26:5475-5481. DOI: 10.1021/cm5013203

Wasylenko DJ, C Rodríguez, ML Pegis, and JM Mayer. 2014. "Direct Comparison of Electrochemical and Spectrochemical Kinetics for Catalytic Oxygen Reduction." Journal of the American Chemical Society 136:12544-12547. DOI: 10.1021/ja505667t

Wiedner ES and ML Helm. 2014. "Comparison of [Ni(PPh2NPh2)2(CH3CN)]2+ and [Pd(PPh2NPh2)2]2+ as Electrocatalysts for H2 Production." Organometallics 33:4617-4620. DOI:10.1021/om4010669.

2013

Acharya DP, Y Yoon, Z Li, Z Zhang, X Lin, R Mu, L Chen, BD Kay, R Rousseau, Z Dohnálek, 2013. "Site-Specific Imaging of Elemental Steps in Dehydration of Diols on TiO₂(110)." ACS Nano 7:10414-10423. DOI: 10.1021/nn404934q

• Research highlight: The Complexity of Catalytically "Cracking" Cellulose

Appel AM, JE Bercaw, AB Bocarsly, H Dobbek, DL DuBois, M Dupuis, JG Ferry, E Fujita, R Hille, P Kenis, CA Kerfeld, RH Morris, CHF Peden, A Portis, S Ragsdale, TB Rauchfuss, J Reek, LC Seefeldt, RK Thauer, and GL Waldrop. 2013. "Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO₂." Chemical Reviews 113(8):6621-6658. DOI: 10.1021/cr300463y

Appel AM, JE Bercaw, AB Bocarsly, H Dobbek, DL DuBois, M Dupuis, JG Ferry, E Fujita, R Hille, PJA Kenis, CA Kerfeld, RH Morris, CHF Peden, AR Portis, SW Ragsdale, TB Rauchfuss, JNH Reek, LC Seefeldt, RK Thauer, GL Waldrop. 2013. "Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO2 Fixation." Chemical Reviews 113(8):6621-6658. DOI: 10.1021/cr300463y

Baer DR, MH Engelhard, GE Johnson, J Laskin, J Lai, KT Mueller, P Munusamy, S Thevuthasan, H Wang, NM Washton, AC Elder, BL Baisch, AS Karakoti, SVNT Kuchibhatla, and DW Moon. 2013. "Surface Characterization of Nanomaterials and Nanoparticles: Important Needs and Challenging Opportunities." Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 31(5):Article No. 050820. DOI: 10.1116/1.4818423

• Research Highlight

Biddy MJ, A Dutta, SB Jones, and PA Meyer. 2013. Ex-Situ Catalytic Fast Pyrolysis Technology Pathway. PNNL-22317, Pacific Northwest National Laboratory, Richland, WA.

Biddy MJ, and SB Jones. 2013. Catalytic Upgrading of Sugars to Hydrocarbons Technology Pathway. PNNL-22319, Pacific Northwest National Laboratory, Richland, WA.

Biddy MJ, R Davis, SB Jones, and Y Zhu. 2013. Whole Algae Hydrothermal Liquefaction Technology Pathway. PNNL-22314, Pacific Northwest National Laboratory, Richland, WA.

Browning ND. 2013. "Electron Microscopy: Phase Transition Singled Out." Nature Chemistry 5(5):363-364. DOI: 10.1038/nchem.1632

Bullock RM. 2013. "Abundant Metals Give Precious Hydrogenation Performance."  Science 342(6162):1054-1055. DOI: 10.1126/science.1247240

• Research Highlight

Chase ZA, JL Fulton, DM Camaioni, D Mei, M Balasubramanian, VT Pham, C Zhao, RS Weber, Y Wang, and JA Lercher. 2013. "State of Supported Pd during Catalysis in Water." Journal of Physical Chemistry C 117: 17603-17612. DOI: 10.1021/jp404772p

Chatman SME, PP Zarzycki, and KM Rosso. 2013. "Surface Potentials of (001), (012), (113) Hematite (α-Fe₂O₃) Crystal Faces in Aqueous Solution." Physical Chemistry Chemical Physics. PCCP 15(33):13911-139-21. DOI: 10.1039/c3cp52592a

Chick LA, OA Marina, CA Coyle, and EC Thomsen. 2013. "Effects of Temperature and Pressure on the Performance of a Solid Oxide Fuel Cell Running on Steam Reformate of Kerosene." Journal of Power Sources 236:341-349. DOI: 10.1016/j.jpowsour.2012.11.136

Chou YS, JW Stevenson, and JP Choi. 2013. "Evaluation of a Single Cell and Candidate Materials with High Water Content Hydrogen in a Generic Solid Oxide Fuel Cell Stack Test Fixture, Part II: Materials and Interface Characterization." International Journal of Applied Ceramic Technology 10(1):97-106. DOI: 10.1111/j.1744-7402.2012.02753.x

Clayton DA, T McPherson, S Pan, M Chen, DA Dixon, and D Hu. 2013. "Spatial and Temporal Variation of Surface-enhanced Raman Scattering at Ag Nanowires in Aqueous Solution." Physical Chemistry Chemical Physics 15(3):850-859. DOI: 10.1039/C2CP43424E

Dagle RA, VMC Lebarbier, JA Lizarazo Adarme, DL King, Y Zhu, MJ Gray, SB Jones, MJ Biddy, RT Hallen, Y Wang, JF White, JE Holladay, and DR Palo. 2013. Single-Step Syngas-to-Distillates (S2D) Synthesis via Methanol and Dimethyl Ether Intermediates: Final Report. PNNL-22984, Pacific Northwest National Laboratory, Richland, WA. 

Das AK, MH Engelhard, F Liu, RM Bullock, and JA Roberts. 2013. "The Electrode as Organolithium Reagent: Catalyst-Free Covalent Attachment of Electrochemically Active Species to an Azide-Terminated Glassy Carbon Electrode Surface."  Inorganic Chemistry 52(23):13674-13684. DOI: 10.1021/ic402247n

• Research highlight: A Better Bit of Binding

Davidson S, J Sun, and Y Wang.  2013.  "Ethanol Steam Reforming on Co/CeO₂: The Effect of ZnO Promoter."  Topics in Catalysis 56(18-20):1651-1659.  DOI: 10.1007/s11244-013-0103-5

Davis R, MJ Biddy, and SB Jones. 2013. Algae Lipid Extraction and Upgrading to Hydrocarbons Technology Pathway. PNNL-22315, Pacific Northwest National Laboratory, Richland, WA.

Davis R, MJ Biddy, E Tan, L Tao, and SB Jones. 2013. Biological Conversion of Sugars to Hydrocarbons Technology Pathway. PNNL-22318, Pacific Northwest National Laboratory, Richland, WA.

Devaraj A, RJ Colby, WP Hess, DE Perea, and S Thevuthasan. 2013. "Role of Photoexcitation and Field Ionization in the Measurement of Accurate Oxide Stoichiometry by Laser-Assisted Atom Probe Tomography." The Journal of Physical Chemistry Letters 4(6):993-998. DOI: 10.1021/jz400015h

Dutta A, S Lense, J Hou, MH Engelhard, JAS Roberts, and WJ Shaw. 2013. "Minimal Proton Channel Enables H₂ Oxidation and Production with a Water-Soluble Nickel-Based Catalyst." Journal of the American Chemical Society 135(49):18490-18496. DOI: 10.1021/ja407826d

Elliott DC, GG Neuenschwander, and TR Hart. 2013. "Hydroprocessing Bio-oil and Products Separation for Coke Production." ACS Sustainable Chemistry & Engineering 1(4):389-392. DOI: 10.1021/sc300103y.

Elliott DC. 2013. "Transportation Fuels from Biomass via Fast Pyrolysis and Hydroprocessing." Wiley Interdisciplinary Reviews: Energy and Environment 2(5):525-533. DOI: 10.1002/wene.74

Franz JA, MJ O'Hagan, MH Ho, TL Liu, ML Helm, S Lense, DL DuBois, WJ Shaw, AM Appel, S Raugei, and RM Bullock. 2013. "Conformational Dynamics and Proton Relay Positioning in Nickel Catalysts for Hydrogen Production and Oxidation." Organometallics 32(23):7034-7042. DOI: 10.1021/om400695w

Galan BR, ML Reback, A Jain, AM Appel, WJ Shaw. 2013. "Electrocatalytic Oxidation of Formate with Nickel Diphosphine Dipeptide Complexes: Effect of Ligands Modified with Amino Acids." European Journal of Inorganic Chemistry 30: 5366-5371. DOI:10.1002/ejic.20130075

Gao F, ED Walter, EM Karp, JY Luo, RG Tonkyn, JH Kwak, J Szanyi, and CHF Peden. 2013. "Structure-Activity Relationships in NH₃-SCR over Cu-SSZ-13 as Probed by Reaction Kinetics and EPR Studies." Journal of Catalysis 300(1):20-29. DOI: 10.1016/j.jcat.2012.12.020.

Gao F, ED Walter, NM Washton, J Szanyi, and CHF Peden.  2013.  "Synthesis and Evaluation of Cu-SAPO-34 Catalysts for Ammonia Selective Catalytic Reduction. 1. Aqueous Solution Ion Exchange."  ACS Catalysis 3(9):2083-2093.  DOI: 10.1021/cs4004672

Gao F, JH Kwak, J Szanyi, and CHF Peden. 2013. "Current Understanding of Cu-Exchanged Chabazite Molecular Sieves for Use as Commercial Diesel Engine DeNOx Catalysts."  Topics in Catalysis 56(15-17):1441-1459. DOI: 10.1007/s11244-013-0145-8

Gao F, JH Kwak, JH Lee, DN Tran, CHF Peden, K Howden, Y Cheng, J Lupescu, G Cavattaio, C Lambert, and RW McCabe. 2013. Final Report of a CRADA Between Pacific Northwest National Laboratory and the Ford Motor Company (CRADA No. PNNL/265): "Deactivation Mechanisms of Base Metal/Zeolite Urea Selective Catalytic Reduction Materials, and Development of Zeolite-Based Hydrocarbon Adsorber Materials. PNNL-22120, Pacific Northwest National Laboratory, Richland, WA.

Garratt E, S AlFaify, T Yoshitake, Y Katamune, M Bowden, MI Nandasiri, S Ghantasala, DC Mancini, S Thevuthasan, and A Kayani. 2013. "Effect of Chromium Underlayer on The Properties of Nano-Crystalline Diamond Films." Applied Physics Letters 102(1):Article No. 011913. DOI: 10.1063/1.4774086

Genc A, L Kovarik, M Gu, H Cheng, P Plachinda, L Pullan, B Freitag, and CM Wang. 2013. "XEDS STEM Tomography for 3D Chemical Characterization of Nanoscale Particles." Ultramicroscopy 131:24-32. DOI: 10.1016/j.ultramic.2013.03.023

• Research Highlight

Gerber MA, MJ Gray, and BL Thompson. 2013. Long-Term Testing of Rhodium-Based Catalysts for Mixed Alcohol Synthesis - 2013 Progress Report. PNNL-22786, Pacific Northwest National Laboratory, Richland, WA.

Ghezel-Ayagh H, S Jolly, D Patel, J Hunt, WA Steen, CF Richardson, and OA Marina. 2013. "A Novel System for Carbon Dioxide Capture Utilizing Electrochemical Membrane Technology." ECS Transactions 51(1):265-272. DOI: 10.1149/05101.0265ecst

Halevi B, S Lin, A Roy, H Zhang, E Jeroro, J Vohs, Y Wang, H Guo, AK Datye. 2013. "High CO₂ Selectivity of ZnO Powder Catalysts for Methanol Steam Reforming." Journal of Physical Chemistry C 117(13):6493-6503. DOI: 10.1021/jp308976u

Heiden, ZM, S Chen, MT Mock, WG Dougherty, WS Kassel, R Rousseau, and RM Bullock. 2013. "Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine." Inorganic Chemistry 52:4026-4039. DOI: 10.1021/ic4000704

Heldebrant DJ. 2013. CO₂-Binding Organic Liquids Gas Capture with Polarity-Swing-Assisted Regeneration Quarterly Progress Report, Budget Period 2, Q8, 2013. PNWD-4406, Battelle-Pacific Northwest Division, Richland, WA.

Henderson MA, and I Lyubinetsky.  2013.  "Molecular-Level Insights into Photocatalysis from Scanning Probe Microscopy Studies on TiO₂(110)." Chemical Reviews 113(6):4428-4455. DOI: 10.1021/cr300315m

• Research Highlight

Henderson MA, M Shen, ZT Wang, I Lyubinetsky. 2013. "Characterization of the Active Surface Species Responsible for UV-Induced Desorption of O₂ from the Rutile TiO₂(110) Surface." Journal of Physical Chemistry C 117(11):5774-5784 DOI:10.1021/jp312161y

Henderson MA. 2013. "Photooxidation and Photodesorption in the Photochemistry of Isobutene on TiO₂(110)." Journal of Physical Chemistry C 117(27):14113-14124. DOI: 10.1021/jp404625

Herman GS, RT Zehr, and MA Henderson.  2013.  "Characterization of Oxygen and Titanium Diffusion at the Anatase TiO₂(001) Surface." Surface Science 612:L5-L8.  DOI: 10.1016/j.susc.2013.02.006

Ho MH, S Chen, RJ Rousseau, M Dupuis, RM Bullock, and S Raugei. 2013. "Bio-Inspired Molecular Catalysts for Hydrogen Oxidation and Hydrogen Production." Chapter 6 in Application of Molecular Modeling to Challenges in Clean Energy. ACS Symposium Series, vol. 1133, ed. G Fitzgerald and N Govind, pp. 89-111.  American Chemical Society, Washington, DC. 

Ho MH, S Raugei, R Rousseau, M Dupuis, and RM Bullock. 2013. "Evaluation of the Role of Water in the H₂ Bond Formation by Ni(II)-Based Electrocatalysts." Journal of Chemical Theory and Computation 9:3505-3514. DOI: 10.1021/ct400396s

Hoffert WA, MT Mock, AM Appel, and JY Yang. 2013. "Incorporation of Hydrogen-Bonding Functionalities into the Second Coordination Sphere of Iron-Based Water-Oxidation Catalysts." European Journal of Inorganic Chemistry 2013:846-3857. DOI: 10.1002/ejic.201201499

Hoffert WA, JA Roberts, RM Bullock, and ML Helm. 2013. "Production of H₂ at Fast Rates Using a Nickel Electrocatalyst in Water/Acetonitrile Solutions." Chemical Communications 49(71):7767-7769. DOI: 10.1039/c3cc43203c

• Research Highlight

Horvath S, LE Fernandez, AM Appel, and S Hammes-Schiffer. 2013. "pH-Dependent Reduction Potentials and Proton-Coupled Electron Transfer Mechanisms in Hydrogen-Producing Nickel Molecular Electrocatalysts." Inorganic Chemistry 52:3643-3652. DOI: 10.1021/ic302056j

Hulley EB, KD Welch, AM Appel, DL DuBois, and RM Bullock. 2013. "Rapid, Reversible Heterolytic Cleavage of Bound H₂." Journal of the American Chemical Society 135:11736-11739. DOI: 10.1021/ja405755j

Jensen DS, SS Kanyal, MA Vail, A Dadson, H Samha, MH Engelhard, and MR Linford. 2013. "Multiwalled Carbon Nanotube Forest Grown via Chemical Vapor Deposition from Iron Catalyst Nanoparticles, by XPS." Surface Science Spectra 20:62-67. DOI: 10.1116/11.20121103

Johnson GE, NM Al Hasan, and J Laskin. 2013. "Influence of Heteroanion and Ammonium Cation Size on the Composition and Gas-Phase Fragmentation of Polyoxovanadates." International Journal of Mass Spectrometry 354-355:333-341. DOI: 10.1016/j.ijms.2013.06.009

Johnson GE, TA Priest, and J Laskin. 2013. "Synthesis and Characterization of Gold Clusters Ligated with 1,3-Bis(dicyclohexylphosphino)propane." ChemPlusChem 78(9):1033-1039. DOI: 10.1002/cplu.201300134

• Research highlight: Strong Influence of a Minor Substitution in Gold Clusters

Jones SB, and JL Male. 2013. Pyrolysis Oil and Upgrading 2011 SOT. PNNL-22133, Pacific Northwest National Laboratory, Richland, WA.

Jones SB, and LJ Snowden-Swan. 2013. Production of Gasoline and Diesel from Biomass via Fast Pyrolysis, Hydrotreating and Hydrocracking: 2012 State of Technology and Projections to 2017. PNNL-22684, Pacific Northwest National Laboratory, Richland, WA.

Karkamkar AJ, K Parab, DM Camaioni, D Neiner, HM Cho, TK Nielsen, and T Autrey. 2013. "A Thermodynamic and Kinetic Study of the Heterolytic Activation of Hydrogen by Frustrated Borane-Amine Lewis Pairs." Dalton Transactions 42(3):615-619. DOI: 10.1039/c2dt31628e

• Research highlight: An Unexpected Pairing of Frustrated Molecules

Kaur M, Q Dai, ME Bowden, MH Engelhard, Y Wu, J Tang, and Y Qiang. 2013. "Magnetic Interaction Reversal in Watermelon Nanostructured Cr-doped Fe Nanoclusters." Applied Physics Letters 103:202407-1. DOI: 10.1063/1.4830434

Kelly ST, P Nigge, S Prakash, A Laskin, B Wang, T Tyliszczak, SR Leone, and MK Gilles. 2013. "An Environmental Sample Chamber for Reliable Scanning Transmission X-Ray Microscopy Measurements under Water Vapor." Reviews of Scientific Instruments 84(7):073708. DOI: 10.1063/1.4816649

Kim DH, KK Mudiyanselage, J Szanyi, JH Kwak, H Zhu, and CHF Peden.  2013. "Effect of K Loadings on Nitrate Formation/Decomposition and on NOx Storage Performance of K-based NOx Storage-Reduction Catalysts." Applied Catalysis. B, Environmental 142-143:472-478. DOI: 10.1016/j.apcatb.2013.05.063

King DL. 2013. Coal-Derived Warm Syngas Purification and CO₂ Capture-Assisted Methane Production. PNNL-22042, Pacific Northwest National Laboratory, Richland, WA.

Kovarik L, A Genc, CM Wang, A Qiu, CHF Peden, J Szanyi, and JH Kwak. 2013. "Tomography and High-Resolution Electron Microscopy Study of Surfaces and Porosity in a Plate-Like Gamma-Al₂O₃." Journal of Physical Chemistry C 117(1):179-186. DOI: 10.1021/jp306800h

• Research highlight: Seeing a Common Catalyst with New Eyes

Kwak JH, JH Lee, SD Burton, AS Lipton, CHF Peden, and J Szanyi. 2013. "A Common Intermediate for N₂ Formation in Enzymes and Zeolites: Side-on Cu-nitrosyl Complexes." Angewandte Chemie International Edition 52(38):9985-9989. DOI: 10.1002/anie.201303498

• Research highlight: How the Newest Diesel Engines Emit Very Little Greenhouse Gas Nitrous Oxide

Kwak JH, L Kovarik, and J Szanyi. 2013. "Heterogeneous Catalysis on Atomically Dispersed Supported Metals: CO₂ Reduction on Multifunctional Pd Catalysts." ACS Catalysis 3(9):2094-2100. DOI: 10.1021/cs4001392

Kwak JH, L Kovarik, and J Szanyi. 2013. "CO₂ Reduction on Supported Ru/Al₂O₃ Catalysts: Cluster Size Dependence of Product Selectivity."  ACS Catalysis 3(11):2449-2455. DOI: 10.1021/cs400381f

Kwak JH, L Kovarik, J Szanyi. 2013. "Heterogeneous Catalysis on Atomically Dispersed Supported Metals: CO2 Reduction on Multifunctional Pd Catalysts." ACS Catalysis 3(9): 2094-2100. DOI: 10.1021/cs4001392

Li WZ, L Kovarik, D Mei, J Liu, Y Wang, and CHF Peden. 2013. "Stable Platinum Nanoparticles on Specific MgAl₂O₄ Spinel Facets at High Temperatures in Oxidizing Atmospheres." Nature Communications 4:Article No. 2481. DOI: 10.1038/ncomms3481

Li Y, Z Wei, J Sun, F Gao, CHF Peden, and Y Wang. 2013. "Effect of Sodium on the Catalytic Properties of VO_x/CeO₂ Catalysts for Oxidative Dehydrogenation of Methanol." Journal of Physical Chemistry C 117(11):5722-5729. DOI: 10.1021/jp310512m

Li Z, BD Kay, and Z Dohnalek. 2013. "Dehydration and Dehydrogenation of Ethylene Glycol on Rutile TiO₂(110)." Physical Chemistry Chemical Physics 15(29):12180-12186. DOI: 10.1039/c3cp50687h

Lin X, Z Wang, I Lyubinetsky, BD Kay, and Z Dohnalek. 2013. "Interaction of CO₂ with Oxygen Adatoms on Rutile TiO₂(110)." Physical Chemistry Chemical Physics 15(17):6190-6195. DOI: 10.1039/C3CP44040K

• Research Highlight

Liu C, AM Karim, VMC Lebarbier, D Mei, and Y Wang.  2013.  "Vapor Phase Ketonization of Acetic Acid on Ceria Based Metal Oxides." Topics in Catalysis 56(18-20):1782-1789.  DOI: 10.1007/s11244-013-0114-2

Liu C, J Sun, C Smith, Y Wang. 2013. "A Study of Zn_xZr_yO_z Mixed Oxides for Direct Conversion of Ethanol to Isobutene." Applied Catalysis A: General 467: 91-97. DOI:10.1016/j.apcata.2013.07.011

Liu TL, DL DuBois, and RM Bullock. 2013. "An Iron Complex with Pendant Amines as a Molecular Electrocatalyst for Oxidation of Hydrogen." Nature Chemistry 5(3):228-233. DOI: 10.1038/NCHEM.1571

• Research highlight: Synthetic Molecule First Electricity-Making Catalyst to Use Iron to Split Hydrogen Gas

Lu Z, AS Karakoti, LA Velarde Ruiz Esparza, W Wang, P Yang, S Thevuthasan, and H Wang. 2013. "Dissociative Binding of Carboxylic Acid Ligand on Nanoceria Surface in Aqueous Solution: A Joint in Situ Spectroscopic Characterization and First-Principles Study." Journal of Physical Chemistry C 117(46):24329-24338. DOI: 10.1021/jp4068747

Luo W, D Neiner, AJ Karkamkar, K Parab, EB Garner, DA Dixon, DW Matson, T Autrey, and SY Liu. 2013. "3-Methyl-1,2-BN-Cyclopentane: A Promising H₂ Storage Material?" Dalton Transactions 42(3):611-614. DOI: 10.1039/c2dt31617j

Meduri P, H Chen, J Xiao, JJ Martinez, TJ Carlson, J Zhang, and Z Deng.  2013.  "Tunable Electrochemical Properties of Fluorinated Graphene."  Journal of Materials Chemistry 1(27):7866-7869. DOI: 10.1039/c3ta11710c

Mehraeen S, J McKeown, PV Deshmukh, JE Evans, P Abellan Baeza, P Xu, BW Reed, ML Taheri, PE Fischione, and ND Browning. 2013. "A (S)TEM Gas Cell Holder with Localized Laser Heating for In Situ Experiments." Microscopy and Microanalysis 19(2):470-478. DOI: 10.1017/S1431927612014419.

Mei D, VMC Lebarbier, RJ Rousseau, VA Glezakou, KO Albrecht, L Kovarik, MD Flake, and RA Dagle.  2013.  "Comparative Investigation of Benzene Steam Reforming over Spinel Supported Rh and Ir Catalysts."  ACS Catalysis 3(6):1133-1143.  DOI: 10.1021/cs4000427

• Research highlight: When Benzene's Bonds Break: Hydrogen Release Depends on Bond Scission, Not Adsorption

Mei D. 2013. "First-Principles Characterization of Formate and Carboxyl Adsorption on the Stoichiometric CeO₂(111) and CeO₂(110) Surfaces." Journal of Energy Chemistry 22(3):524-532. DOI: 10.1016/S2095-4956(13)60069-8

Meier D, B van de Beld, AV Bridgwater, DC Elliott, A Oasmaa, and F Preto. 2013. "State-of-the-Art of Fast Pyrolysis in IEA Bioenergy Member Countries." Renewable & Sustainable Energy Reviews 20:619-641. DOI: 10.1016/j.rser.2012.11.061.

Ming-Hsun H, C Shentan, R Roger, D Michel, RM Bullock, R Simone. 2013. "Bio-Inspired Molecular Catalysts for Hydrogen Oxidation and Hydrogen Production." Chapter 6 in In Applications of Molecular Modeling to Challenges in Clean Energy, Vol. 1133. ACS Symposium Series, American Chemical Society, Washington, DC.

Mock MT, S Chen, MJ O'Hagan, RJ Rousseau, WG Dougherty, WS Kassel, and RM Bullock. 2013. "Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-membered Phosphorus Macrocycle." Journal of the American Chemical Society 135(31):11493-11496. DOI: 10.1021/ja405668u

Nandasiri MI, SVNT Kuchibhatla, and S Thevuthasan.  2013.  "Synthesis of Metal Oxide Nanomaterials for Chemical Sensors by Molecular Beam Epitaxy."  Chapter 6 in Metal Oxide Nanomaterials for Chemical Sensors: Integrated Analytical Systems, ed. MA Carpenter, S Mathur and A Kolmakov, pp. 189-224.  Springer, New York, NY. 

Nasybulin EN, W Xu, MH Engelhard, XS Li, M Gu, D Hu, and J Zhang. 2013. "Electrocatalytic Properties of Poly(3,4-ethylenedioxythiophene) (PEDOT) in Li-O2 Battery." Electrochemistry Communications 29:63-66. DOI: 10.1016/j.elecom.2013.01.011

Nielsen TK, AJ Karkamkar, ME Bowden, F Besenbacher, TR Jensen, and T Autrey. 2013. "Methods to Stabilize and Destabilize Ammonium Borohydride." Dalton Transactions 42(3):680-687. DOI: 10.1039/C2DT31591B

Peppernick SJ, AG Joly, KM Beck, WP Hess, J Wang, YC Wang, and W Wei.  2013.  "Photoemission Electron Microscopy of a Plasmonic Silver Nanoparticle Trimer." Applied Physics A, Materials Science and Processing 112(1):35-39. DOI: 10.1007/s00339-012-7316-5

Poudyal N, GS Chaubey, C Rong, J Cui, and JP Liu. 2013. "Synthesis of Monodisperse FeCo Nanoparticles by Reductive Salt-Matrix Annealing." Nanotechnology 24(34):Article No. 345605. DOI: 10.1088/0957-4484/24/34/345605

Qiao L, HY Xiao, SM Heald, ME Bowden, T Varga, GJ Exarhos, MD Biegalski, IN Ivanov, WJ Weber, T Droubay, and SA Chambers. 2013. "The Impact of Crystal Symmetry on the Electronic Structure and Functional Properties of Complex Lanthanum Chromium Oxides." Journal of Materials Chemistry C 1(30):4527-4535. DOI: 10.1039/C3TC30883A

Qiu J, YC Wu, YC Wang, MH Engelhard, L McElwee-White, and W Wei. 2013. "Surface Plasmon Mediated Chemical Solution Deposition of Gold Nanoparticles on a Nanostructured Silver Surface." Journal of the American Chemical Society 135(1):38-41. DOI: 10.1021/ja309392x

Rappe KG, JH Lee, ML Stewart, MN Devarakonda, and GD Maupin. 2013. Combination and Integration of DPF-SCR After-treatment. PNNL-21037, Pacific Northwest National Laboratory, Richland, WA.

Reback ML, B Ginovska-Pangovska, MH Ho, A Jain, TC Squier, S Raugei, JA Roberts, and WJ Shaw. 2013. "The Role of a Dipeptide Outer-Coordination Sphere on H₂ –Production Catalysts: Influence on Catalytic Rates and Electron Transfer." Chemistry – A European Journal 19(6):1928-1941. DOI: 10.1002/chem.201202849

• Research Highlight

Roberts JAS and RM Bullock. 2013. "Direct Determination of Equilibrium Potentials for Hydrogen Oxidation/Production by Open Circuit Potential Measurements in Acetonitrile." Inorganic Chemistry 52(7):3823-2835. DOI: 10.1021/ic302461q

Shao Y, TL Liu, G Li, M Gu, Z Nie, MH Engelhard, J Xiao, D Lu, CM Wang, J Zhang, and J Liu. 2013. "Coordination Chemistry in Magnesium Battery Electrolytes: How Ligands Affect Their Performance."  Scientific Reports 3:Article No. 3130. DOI: 10.1038/srep03130

Shaw WJ, ML Helm, and DL DuBois. 2013. "A Modular, Energy-Based Approach to the Development of Nickel Containing Molecular Electrocatalysts for Hydrogen Production and Oxidation." Biochimica et Biophysica Acta (BBA)-Bioenergetics 1827:1123-1139.

Shi H, OY Gutierrez, GL Haller, D Mei, RJ Rousseau, and JA Lercher. 2013. "Structure Sensitivity of Hydrogenolytic Cleavage of Endocyclic and Exocyclic C-C bonds in Methylcyclohexane over Supported Iridium Particles." Journal of Catalysis 297:70-78. DOI: 10.1016/j.jcat.2012.09.018

Stevens AJ, Y Sun, J Lian, MN Devarakonda, and G Parker. 2013. "Optimal SCR Control Using Data-Driven Models." In SAE 2013 World Congress & Exhibition Technical Papers, April 16, 2013, Detroit, Michigan, pp. Paper No. 2013-01-1573. SAE International, Warrendale, PA. DOI: 10.4271/2013-01-1573.

Stewart MP, II, MH Ho, S Wiese, ML Lindstrom, CE Thogerson, S Raugei, RM Bullock, and ML Helm. 2013. "High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Diphosphine Ligands Containing One Pendent Amine." Journal of the American Chemical Society 135(16):6033-6046. DOI: 10.1021/ja400181a.

• Research highlight: Controlling Proton Source Speeds Catalyst in Turning Electricity to Fuel

Suh DM, and X Sun. 2013. "Particle-scale CO₂ Adsorption Kinetics Modeling Considering Three Reaction Mechanisms." International Journal of Greenhouse Gas Control 17:388-396. DOI: 10.1016/j.ijggc.2013.05.029

Sun J, AM Karim, H Zhang, L Kovarik, XS Li, A Hensley, JS McEwen, and Y Wang. 2013. "Carbon-Supported Bimetallic Pd-Fe Catalysts for Vapor-Phase Hydrodeoxygenation of Guaiacol." Journal of Catalysis 306(1):47-57.  DOI: 10.1016/j.jcat.2013.05.020

Sun J, D Mei, AM Karim, AK Datye, and Y Wang.  2013.  "Minimizing the Formation of Coke and Methane on Co Nanoparticles in Steam Reforming of Biomass-derived Oxygenates." ChemCatChem 5(6):1299-1303. DOI:10.1002/cctc.201300041

Szanyi J, CWW Yi, KK Mudiyanselage, and JH Kwak. 2013. "Understanding Automotive Exhaust Catalysts Using a Surface Science Approach: Model NOx Storage Materials."  Topics in Catalysis 56(15-17):1420-1440. DOI: 10.1007/s11244-013-0152-9

Szanyi J, JH Kwak, H Zhu, and CHF Peden. 2013. "Characterization of Cu-SSZ-13 NH₃ SCR Catalysts: An In Situ FTIR Study." Physical Chemistry Chemical Physics 15(7):2368-2380. DOI: 10.1039/c2cp43467a

Talmadge M, MJ Biddy, A Dutta, SB Jones, and PA Meyer. 2013. Syngas Upgrading to Hydrocarbon Fuels Technology Pathway. PNNL-22323, Pacific Northwest National Laboratory, Richland, WA.

Thompson CJ, JS Loring, KM Rosso, and Z Wang.  2013.  "Comparative Reactivity Study of Forsterite and Antigorite in Wet Supercritical CO₂ by In Situ Infrared Spectroscopy."  International Journal of Greenhouse Gas Control 18:246-255.  DOI: 10.1016/j.ijggc.2013.07.007

Tseng CH, B Paul, C Chang, and MH Engelhard. 2013. "Continuous Precipitation of Ceria Nanoparticles from a Continuous Flow Micromixer." International Journal of Advanced Manufacturing Technology 64(1-4):579-586. DOI: 10.1007/s00170-012-4428-1

Turcu RVF, DW Hoyt, KM Rosso, JA Sears, Jr, JS Loring, AR Felmy, and JZ Hu. 2013. "Rotor Design for High Pressure Magic Angle Spinning Nuclear Magnetic Resonance." Journal of Magnetic Resonance 226:64-69. DOI: 10.1016/j.jmr.2012.08.009

van der Eide EF, GL Hou, S Deng, H Wen, P Yang, RM Bullock, and XB Wang. 2013. "Metal-Centered 17-Electron Radicals CpM(CO)3· (M = Cr, Mo, W): A Combined Negative Ion Photoelectron Spectroscopic and Theoretical Study." Organometallics 32(7):2084-2091. DOI: 10.1021/om3011454.

van der Eide EF, ML Helm, ED Walter, and RM Bullock. 2013. "Structural and Spectroscopic Characterization of 17– and 18-Electron Piano-Stool Complexes of Chromium. Thermochemical Analyses of Weak Cr-H Bonds." Inorganic Chemistry 52(3):1591-1603. DOI: 10.1021/ic302460y

van der Eide EF, P Yang, and RM Bullock. 2013. "Isolation of Two Agostic Isomers of an Organometallic Cation: Different Structures and Colors." Angewandte Chemie International Edition 52(39):10190-10194. DOI: 10.1002/anie.201305032

• Research Highlight

Van Kuiken BE, M Valiev, SL Daifuku, C Bannan, ML Strader, H Cho, N Huse, RW Schoenlein, N Govind, and M Khalil. 2013. "Simulating Ru L₃-edge X-ray Absorption Spectroscopy with Time-Dependent Density Functional Theory: Model Complexes and Electron Localization in Mixed-Valence Metal Dimers." Journal of Physical Chemistry A 117(21):4444-4454. DOI: 10.1021/jp401020j

Vijayakumar M, and JZ Hu.  2013.  "Exploring the Interaction between Lithium Ion and Defective Graphene Surface using Dispersion Corrected DFT Studies."  ECS Transactions 53(10):23-32.  DOI: 10.1149/05310.0023ecst

Vijayakumar M, W Wang, Z Nie, VL Sprenkle, and JZ Hu. 2013. "Elucidating the Higher Stability of Vanadium(V) Cations in Mixed Acid Based Redox Flow Battery Electrolytes." Journal of Power Sources 241:173-177. DOI: 10.1016/j.jpowsour.2013.04.072

Vilayur Ganapathy S, MI Nandasiri, AG Joly, PZ El-Khoury, T Varga, GW Coffey, B Schwenzer, A Pandey, AN Kayani, WP Hess, and S Thevuthasan.  2013. "Silver Nanorod Arrays for Photocathode Applications."  APL Materials 103(16): 161112. DOI:10.1063/1.4825262 

Wang X, JC Hanson, JH Kwak, J Szanyi, and CHF Peden. 2013. "Cation Movements during Dehydration and NO₂ Desorption in a Ba-Y,FAU Zeolite: An In Situ Time-resolved X-ray Diffraction Study." Journal of Physical Chemistry C 117(8):3915-3922. DOI: 10.1021/jp308307m

Wang Y, KA Lopata, SA Chambers, N Govind, and PV Sushko.  2013.  "Optical Absorption and Band Gap Reduction in (Fe_1-xCr_x)₂O₃ Solid Solutions: A First-Principles Study."  Journal of Physical Chemistry C 117(48):25504-25512.  DOI: 10.1021/jp407496w

Wang Y, Y Yoon, VA Glezakou, J Li, and RJ Rousseau. 2013. "The Role of Reducible Oxide-Metal Cluster Charge Transfer in Catalytic Processes: New Insights on The Catalytic Mechanism of CO Oxidation on Au/TiO₂ from Ab Initio Molecular Dynamics."  Journal of the American Chemical Society 135(29):10673-10683. DOI: 10.1021/ja402063v

Wang YG, D Mei, J Li, R Rousseau. 2013. "DFT+U Study on the Localized Electronic States and Their Potential Role During H₂O Dissociation and CO Oxidation Processes on CeO₂(111) Surface." The Journal of Physical Chemistry C 117(44):23082-23089. DOI: 10.1021/jp409953u

Weber RS, and RJ Rousseau. 2013. 2013 DOE BETO Project Peer Review: Computational Pyrolysis Consortium. PNNL-22451, Pacific Northwest National Laboratory, Richland, WA.

Welch DA, R Faller, JE Evans, and ND Browning.  2013.  "Simulating Realistic Imaging Conditions for In Situ Liquid Microscopy."  Ultramicroscopy 135:36-42. DOI: 10.1016/j.ultramic.2013.05.010

Wiedner ES, AM Appel, DL DuBois, and RM Bullock. 2013. "Thermochemical and Mechanistic Studies of Electrocatalytic Hydrogen Production by Cobalt Complexes Containing Pendant Amines." Inorganic Chemistry 52:14391-14403. DOI: 10.1021/ic4025475

Wiedner ES, JAS Roberts, WG Dougherty, WS Kassel, DL DuBois, and RM Bullock. 2013. "Synthesis and Electrochemical Studies of Cobalt(III) Monohydride Complexes Containing Pendant Amines." Inorganic Chemistry 52:9975-9988. DOI: 10.1021/ic401232g

Wiese S, UJ Kilgore, MH Ho, S Raugei, DL DuBois, RM Bullock, and ML Helm. 2013. "Hydrogen Production using Nickel Electrocatalysts with Pendant Amines: Ligand Effects on Rates and Overpotentials."  ACS Catalysis 3(11):2527-2535. DOI: 10.1021/cs400638f

• Research highlight: When Less Is More: Fewer Proton Relays Improve Catalytic Rate

Woehl TJ, KL Jungjohann, JE Evans, I Arslan, WD Ristenpart, and ND Browning. 2013. "Experimental Procedures to Mitigate Electron Beam Induced Artifacts During In Situ Fluid Imaging of Nanomaterials." Ultramicroscopy 127:53-63. DOI: 10.1016/j.ultramic.2012.07.018.

Xu W, X Chen, W Wang, D Choi, F Ding, J Zheng, Z Nie, YJ Choi, J Zhang, and Z Yang. 2013. "Simply AlF₃-Treated Li₄Ti₅O₁₂ Composite Anode Materials for Stable and Ultrahigh Power Lithium-Ion Batteries." Journal of Power Sources 236:169-174. DOI: 10.1016/j.jpowsour.2013.02.055

Yan L, DD Laskar, SJ Lee, and B Yang.  2013.  "Aqueous Phase Catalytic Conversion of Agarose to 5-hydroxymethylfurfural by Metal Chlorides." RSC Advances 3(46): 24090-24098.  DOI: 10.1039/C3RA43293A

Yang JY, SE Smith, T Liu, WG Dougherty, WA Hoffert, WS Kassel, MR DuBois, DL DuBois, and RM Bullock. 2013. "Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere." Journal of the American Chemical Society 135(26):9700-9712. DOI: 10.1021/ja400705a

Yang Y, CA Mims, D Mei, CHF Peden, and CT Campbell. 2013. "Mechanistic Studies of Methanol Synthesis over Cu from CO/CO₂/H₂/H₂O Mixtures: the Source of C in Methanol and the Role of Water." Journal of Catalysis 298:10-17. DOI: 10.1016/j.jcat.2012.10.028

Yang Y, CA Mims, Dh Mei, CHF Peden, CT Campbell. 2013. "Mechanistic studies of methanol synthesis over Cu from CO/CO₂/H₂/H₂O mixtures: The source of C in methanol and the role of water." Journal of Catalysis 298:10-17. DOI: 10.1016/j.jcat.2012.10.028

Ye J, C Liu, D Mei, and Q Ge.  2013.  "Active Oxygen Vacancy Site for Methanol Synthesis from CO₂ Hydrogenation on In₂O₃(110): A DFT Study." ACS Catalysis 3(6):1296-1306. DOI: 10.1021/cs400132a

Yu Y, OY Gutierrez, GL Haller, RJ Colby, BC Kabius, JA Rob van Veen, A Jentys, and JA Lercher. 2013. "Tailoring Silica-Alumina Supported Pt-Pd as Poison-Tolerant Catalyst for Aromatics Hydrogenation." Journal of Catalysis 304:135-148. DOI: 10.1016/j.jcat.2013.04.009

Zammit M, CL DiMaggio, CH Kim, C Lambert, GG Muntean, CHF Peden, JE Parks, and K Howden. 2013. Future Automotive Aftertreatment Solutions: The 150°C Challenge Workshop Report. PNNL-22815, Pacific Northwest National Laboratory, Richland, WA.

Zhang S, Y Shao, G Yin, and Y Lin. 2013. "Recent Progress in Nanostructured Electrocatalysts for PEM Fuel Cells." Journal of Materials Chemistry A 1(15):4631-4641. DOI: 10.1039/C3TA01161E

Zheng J, J Xiao, M Gu, P Zuo, CM Wang, and J Zhang. 2013. "Interface Modifications by Anion Acceptors for High Energy Lithium Ion Batteries." Energy & Environmental Science. DOI: 10.1016/j.jpowsour.2013.10.071

Zhu H, JH Kwak, CHF Peden, and J Szanyi. 2013. "In situ DRIFTS-MS Studies on the Oxidation of Adsorbed NH₃ by NO_x over a Cu-SSZ-13 Zeolite." Catalysis Today 205:16-23. DOI: 10.1016/j.cattod.2012.08.043

Fernandez LE, S Horvath, and S Hammes-Schiffer. 2013. "Theoretical Design of Molecular Electrocatalysts with Flexible Pendant Amines for Hydrogen Production and Oxidation." The Journal of Physical Chemistry Letters 4(3):542-546. DOI: 10.1021/jz3020277

Henderson MA. 2013. "Comparison of the Photodesorption Activities of cis-Butene, trans-Butene, and Isobutene on the Rutile TiO₂(110) Surface." Journal of Physical Chemistry C 117(45):23840-23847. DOI:10.1021/jp408426y

Nepomnyashchii, A. B.; Kolesov, G.; and BA Parkinson. 2013. "Electrogenerated Chemiluminescence of BODIPY, Ru(bpy)32+, and 9,10-Diphenylanthracene Using Interdigitated Array Electrodes." ACS Applied Materials and Interfaces 5:5931-5936. DOI: 10.1021/am4010623

2012

Candelaria SL, Y Shao, W Zhou, X Li, J Xiao, JG Zhang, Y Wang, J Liu, J Li, G Cao. 2012. "Nanostructured carbon for energy storage and conversion." Nano Energy 1:195-220. DOI: 10.1016/j.nanoen.2011.11.006

Du Y, NG Petrik, NA Deskins, Z Wang, MA Henderson, GA Kimmel, I Lyubinetsky. 2012. "Hydrogen reactivity on highly-hydroxylated TiO₂(110) surfaces prepared via carboxylic acid adsorption and photolysis." Physical Chemistry Chemical Physics 14:3066-3074. DOI: 10.1039/C1CP22515D

Hlevi B, EJ Peterson, A Roy, A DeLariva, E Jeroro, F Gao, Y Wang, JM Vohs, B Kiefer, E Kunkes, M Hävecker, M Behrens,R Schlögl, AK Datye. 2012. "Catalytic Reactivity of Face Centered Cubic PdZn_α for the Steam Reforming of Methanol. " Journal of Catalysis 291:44-54. DOI: 10.1016/j.jcat.2012.04.002

Jain A, ML Reback, ML Lindstrom, CE Thogerson, ML Helm, AM Appel, WJ Shaw. 2012. "Investigating the Role of the Outer-Coordination Sphere in [Ni(PPh2NPh-R2)2]2+ Hydrogenase Mimics." Inorganic Chemistry 51(12) 6592-6602. DOI: 10.1021/ic300149x

Jeong S, H Kim, JH Bae, DH Kim, CHF Peden, YK Park, JK Jeon. 2012. "Synthesis of butenes through 2-butanol dehydration over mesoporous materials produced from ferrierite." Catalysis Today 185:191-197. DOI: 10.1016/j.cattod.2011.09.017

Kim B, ZJ Li, BD Kay, Z Dohnalek, YK Kim. 2012. "The Effect of Oxygen Vacancies on the Binding Interactions of NH₃ with rutile TiO₂(110)-1 x 1." Physical Chemistry Chemical Physics 14:15060-15065. DOI: 10.1039/C2CP42754K

Kim B, ZJ Li, BD Kay, Z Dohnalek, YK Kim. 2012. quot;Unexpected Nondissociative Binding of N₂O on Oxygen Vacancies on a Rutile TiO₂(110)-1 x 1." Journal of Physical Chemistry C 116(1):1145-1150. DOI: 10.1021/jp210636j

Kwak JH, R Tonkyn, D Tran, D Mei,SJ Cho,L Kovarik, JH Lee, CHF Peden, J Szanyi. 2012. "Size-Dependent Catalytic Performance of CuO on γ-Al₂O₃: NO Reduction versus NH₃ Oxidation." ACS Catalysis 2,(7):1432-1440. DOI: 10.1021/cs3002463

Lense S, MH Ho, S Chen, A Jain, S Raugei, JC Linehan, JAS Roberts, AM Appel, W Shaw. 2012. "Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base." Organometallics 31(19): 6719-6731. DOI: 10.1021/om300409y

Li SC, Z Li, Z Zhang, BD Kay, R Rousseau, Z Dohnalek. 2012. "Preparation, Characterization, and Catalytic Properties of Tungsten Trioxide Cyclic Trimers on FeO(111)/Pt(111)." The Journal of Physical Chemistry C 116: 908-916. DOI: 10.1021/jp2093324

Li ZJ, B Šmíd, YK Kim, V Matolín, BD Kay, R Rousseau, Z Dohnálek. 2012. "Alcohol Dehydration on Monooxo W=O and Dioxo O=W=O Species." The Journal of Physical Chemistry Letters 3:2168-2172. DOI: 10.1021/jz300885v

Lin X, Y Yoon, NG Petrik, ZJ Li, ZT Wang, VA Glezakou, BD Kay, I Lyubinetsky, GA Kimmel,R Rousseau, Z Dohnalek. 2012. "Structure and Dynamics of CO₂ on Rutile TiO₂(110)-1x1." Journal of Physical Chemistry C 116(50):26322-26334. DOI: 10.1021/jp308061j

Liu T, S Chen, MJ O'Hagan, M Rakowski DuBois, RM Bullock, DL DuBois. 2012. "Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H2." Journal of the American Chemical Society 134(14): 6257-6272. DOI: 10.1021/ja211193j

Seu CS, AM Appel, MD Doud, DL DuBois, CP Kubiak. 2012. "Formate oxidation via [small beta]-deprotonation in [Ni(P^R₂N^R[prime or minute]₂)₂(CH₃CN)]²⁺ Complexes." Energy & Environmental Science 5:6480-6490. DOI: 10.1039/C2EE03341K

Shen M, DP Acharya, Z Dohnalek, MA Henderson. "Importance of Diffusion in Methanol Photochemistry on TiO₂(110)." Journal of Physical Chemistry C 116(48):25465-25469. DOI: 10.1021/jp309768b

Shen M, MA Henderson. 2012. "Role of Water in Methanol Photochemistry on Rutile TiO₂(110)." Journal of Physical Chemistry C 116(35)18788-18795. DOI: 10.1021/jp3046774

Smid B, Z Li, A Dohnálková, BW Arey, RS Smith, V Matolin, BD Kay, Z Dohnálek. 2012. "Characterization of Nanoporous WO₃ Films Grown via Ballistic Deposition." The Journal of Physical Chemistry C 116:10649-10655. DOI: 10.1021/jp3015723

Stott AC, TP Vaid, EJ Bylaska, DA Dixon. 2012. "Tuning Band Gap Energies in Pb₃(C₆X₆) Extended Solid-State Structures." The Journal of Physical Chemistry C 116:8370-8378. DOI: 10.1021/jp211967u

Szanyi J, M Daturi, G Clet, D Baer, CHF Peden. 2012. "Well-studied Cu-BTC still serves surprises: evidence for facile Cu²⁺/Cu⁺ interchange." Physical Chemistry Chemical Physics 14:4383-4390. DOI: 10.1039/C2CP23708C

van der Eide EF, T Liu, DM Camaioni, ED Walter, RM Bullock. 2012."Facile Thermal W-W Bond Homolysis in the N-Heterocyclic Carbene Containing Tungsten Dimer [CpW(CO)₂(IMe)]₂." Organometallics 31(5): 1775-1789. DOI: 10.1021/om201162g

Wang ZT, N Aaron Deskins, I Lyubinetsky. 2012. "Direct Imaging of Site-Specific Photocatalytical Reactions of O₂ on TiO₂(110)." Journal Physical Chemistry Letters 3(1):102-106. DOI:10.1021/jz2014055

Wei Z, J Sun, Y Li, AK Datye, Y Wang. 2012."Bimetallic Catalysts for Hydrogen Generation." Chemical Society Reviews 41: 7994-8008. DOI: 10.1039/C2CS35201J

Wiedner ES, JY Yang, S Chen, S Raugei, WG Dougherty, WS Kassel, ML Helm, RM Bullock, M Rakowski, DL DuBois. 2012. "Stabilization of Nickel Complexes with Ni⁰···H-N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands." Organometallics 31(1): 144-156. DOI: 10.1021/om200709z

Zhang ZR, Y Yoon, X Lin, D Acharya, BD Kay, R Rousseau, Z Dohnalek. 2012. "OH Group Dynamics of 1,3-Propanediol on TiO₂(110)." The Journal of Physical Chemistry Letters 3:3257-3263. DOI: 10.1021/jz301412m

Zhao C, DM Camaioni, JA Lercher. 2012. "Selective Catalytic Hydroalkylation and Deoxygenation of Substituted Phenols to Bicycloalkanes." Journal of Catalysis 288: 92-103. DOI: 10.1016/j.jcat.2012.01.005

Zhu K, J Sun, H Zhang, J Liu, Y Wang. 2012. "Carbon as a Hard Template for Nano Material Catalysts." Journal of Natural Gas Chemistry 21:215-232. DOI: 10.1016/S1003-9953(11)60357-5

Aleksandrov HA, LV Moskaleva, ZJ Zhao, D Basaran, ZX Chen, D Mei, and N Rosch. 2012. "Ethylene Conversion to Ethylidyne on Pd(111) and Pt(111). A First-Principles-Based Kinetic Monte Carlo Study." Journal of Catalysis 285(1):187-195. DOI:10.1016/j.jcat.2011.09.035

Andersen A, SM Kathmann, MA Lilga, KO Albrecht, RT Hallen, and D Mei. 2012. "First-principles Characterization of Potassium Intercalation in the Hexagonal 2H-MoS₂." Journal of Physical Chemistry C 116(2):1826-1832. DOI:10.1021/jp206555b

Arslan I, and EA Stach. 2012. "Electron Tomography: Seeing Atoms in Three Dimensions." Nature Materials 11(11):911-912. DOI:10.1038/nmat3472

Baer DR. 2012. "Application of Surface Analysis Methods to Nanomaterials: Summaryof ISO/TC 201 Technical Report: ISO 14187:2011 - Surface Chemical Analysis—Characterization of Nanomaterials." Surface and Interface Analysis 44(9):1305-1308. doi:10.1002/sia.4938

Berglin EJ, CW Enderlin, and AJ Schmidt. 2012. Review and Assessment of Commercial Vendors/Options for Feeding and Pumping Biomass Slurries for Hydrothermal Liquefaction. PNNL-21981, Pacific Northwest National Laboratory, Richland, WA.

Camaioni DM, B Ginovska-Pangovska, GK Schenter, SM Kathmann, and T Autrey. 2012. "Analysis of the Activation and Heterolytic Dissociation of H(2) by Frustrated Lewis Pairs: NH(3)/BX(3) (X = H, F, and Cl)." Journal of Physical Chemistry A 116(26):7228-7237. DOI:10.1021/jp3039829

Carver, CT, BD Matson, and JM Mayer. 2012. "Electrocatalytic Oxygen Reduction by Iron Tetra-arylporphyrins Bearing Pendant Proton Relays." Journal of the American Chemical Society 134, 5444-5447. DOI: 10.1021/ja211987f

Cheung SH, A Celik-Aktas, P Dey, K Pande, M Weinert, B Kabius, D Keavney, V Lazarov, SA Chambers, and M Gajdardziska-Josifovska. 2012. "Effects of Unreconstructed and Reconstructed Polar Surface Terminations on Growth, Structure, and Magnetic Properties of Hematite Films." Physical Review B, Condensed Matter and Materials Physics 85(4):045405. DOI:10.1103/PhysRevB.85.045405

Choi YJ, Y Xu, WJ Shaw, and E Ronnebro. 2012. "Hydrogen Storage Properties of New Hydrogen-rich NH₃BH₃-Metal Hydride (TiH₂, ZrH₂, MgH₂, and/or CaH₂) Composite Systems." Journal of Physical Chemistry C 116(15):8349-8358. DOI:10.1021/jp210460w

Davidson JD, RJ Wiacek, SD Burton, XS Li, GE Fryxell, RS Addleman, W Yantasee, T Sangvanich, and K Pattamakomsan. 2012. "Improved Deposition and Deprotection of Silane Tethered 3,4 Hydroxypyridinone (HOPO) Ligands on Functionalized Nanoporous Silica." Inorganic Chemistry Communications 18:92-96. DOI:10.1016/j.inoche.2012.01.025

Devarakonda MN, KP Brooks, E Ronnebro, SD Rassat, and JD Holladay. 2012. "Chemical Hydrides for Hydrogen Storage in Fuel Cell Applications." In: SAE World Congress and Exhibition, April 24-26, 2012, Detroit, Michigan, SAE Technical Paper 2012-01-1229. SAE International, Warrendale, Pennsylvania. DOI:10.4271/2012-01-1229

Devarakonda MN, DR Herling, DH Kim, JH Kwak, CHF Peden, ML Stewart, A Strzelec, J Szanyi, DN Tran, and JH Lee. 2012. "CLEERS Aftertreatment Modeling and Analysis." Chapter II.B.1 in: the DOE Report, Advanced Combustion Engine Research and Development, pp. 176-181.

Devarakonda MN, KP Brooks, E Ronnebro, and SD Rassat. 2012. "Systems Modeling, Simulation and Material Operating Requirements for Chemical Hydride Based Hydrogen Storage." International Journal of Hydrogen Energy 37(3):2779-2793. DOI:10.1016/j.ijhydene.2011.06.121

Devarakonda MN, RG Tonkyn, and JH Lee. 2012. "Modeling Species Inhibition and Competitive Adsorption in Urea-SCR Catalysts." In: SAE World Congress and Exhibition, April 24-26, 2012, Detroit, Michigan, SAE Technical Paper 2012-01-1295. SAE International, Warrendale, Pennsylvania. DOI:10.4271/2012-01-1295

Devanathan R, NB Idupulapati, and M Dupuis. 2012. "Molecular Modeling of the Morphology and Transport Properties of Two Direct Methanol Fuel Cell Membranes: Phenylated Sulfonated Poly(Ether Ether Ketone Ketone) versus Nafion."  Journal of Materials Research 27(15):1927-1938. DOI:10.1557/jmr.2012.165

Du Y, DJ Kim, TC Kaspar, SE Chamberlin, I Lyubinetsky, and SA Chambers. 2012. "In-situ imaging of the nucleation and growth of epitaxial anatase TiO₂(001) films on SrTiO3(001)." Surface Science 606(17-18):1443-1449. doi:10.1016/j.susc.2012.05.010

Du Y, DJ Kim, TC Kaspar, SE Chamberlin, I Lyubinetsky, and SA Chambers. 2012. "In-Situ Imaging of the Nucleation and Growth of Epitaxial Anatase TiO₂(001) Films on SrTiO3(001).  Surface Science 606(17-18):1443-1449. DOI:10.1016/j.susc.2012.05.010

Du Y, NG Petrik, NA Deskins, Z Wang, MA Henderson, GA Kimmel, and I Lyubinetsky. 2012. "Hydrogen Reactivity on Highly-hydroxylated TiO₂(110) Surfaces Prepared via Carboxylic Acid Adsorption and Photolysis." Physical Chemistry Chemical Physics. PCCP 14(9):3066-3074. DOI:10.1039/C1CP22515D. 

• Research highlight: Getting Your Catalyst What It Needs.

Elliott DC, A Oasmaa, F Preto, D Meier, and AV Bridgwater. 2012. "Results of the IEA Round Robin on Viscosity and Stability of Fast Pyrolysis Bio-oils." Energy and Fuels. DOI:10.1021/ef300384t

Engelhard MH, JA Herman, R Wallace, and DR Baer.  2012.  "As-Received, Ozone Cleaned and Ar+ Sputtered Surfaces of Hafnium Oxide Grown by Atomic Layer Deposition and Studied by XPS." Surface Science Spectra 18(1):46-57. DOI:10.1116/11.20100601

Evans JE, KL Jungjohann, and ND Browning. 2012. "Dynamic Transmission Electron Microscopy." In Characterization of Materials, 2nd ed, EN Kaufmann, editor. John Wiley & Sons, Hoboken, New Jersey.

Evans JE, KL Jungjohann, PCK Wong, PL Chiu, GH Dutrow, I Arslan, and ND Browning. 2012. " Visualizing Macromolecular Complexes with In Situ Liquid Scanning Transmission Electron Microscopy." Micron 43(11):1085-1090. DOI:10.1016/j.micron.2012.01.018

Fernandez CA, PK Thallapally, and BP McGrail. 2012. "Insights into the Temperature-Dependent "Breathing" of a Flexible Fluorinated Metal-Organic Framework." ChemPhysChem 13(14):3275-3281. DOI:10.1002/cphc.201200243

Fernandez, LE, S Horvath, S Hammes-Schiffer. 2012. "Theoretical Analysis of the Sequential Proton-Coupled Electron Transfer Mechanisms for H2 Oxidation and Production Pathways Catalyzed by Nickel Molecular Electrocatalysts." The Journal of Physical Chemistry C. 116, 3171-3180. DOI: 10.1021/jp210690q

Flaherty DW, NT Hahn, RA May, SP Berglund, YM Lin, KJ Stevenson, Z Dohnalek, BD Kay, and CB Mullins. 2012. "Reactive Ballistic Deposition of Nanostructured Model Materials for Electrochemical Energy Conversion and Storage." Accounts of Chemical Research 45(3):434-443. DOI:10.1021/ar200164u

Fulton JL, M Balasubramanian, TV Pham, and GS Deverman. 2012. "A Variable, Ultra-Short Pathlength Solution Cell for XAFS Transmission Spectroscopy of the Light Elements." Journal of Synchrotron Radiation 19(6):949-953. DOI:10.1107/S090904951203806X

Gao F, and DW Goodman. 2012. "Pd-Au Bimetallic Catalysts: Understanding Alloy Effects from Planar Models and (Supported) Nanoparticles." Chemical Society Reviews 41(24):8009-8020. DOI: 10.1039/C2CS35160A

Gao F and DW Goodman. 2012. "CO Oxidation over Ruthenium: Identification of the Catalytically Active Phases at Near-atmospheric Pressures." Physical Chemistry Chemical Physics PCCP 14(19):6688-6697. DOI:10.1039/C2CP40121E

Gao F and DW Goodman.2012. "Model Catalysts: Simulating the Complexities of Heterogeneous Catalysts." Annual Review of Physical Chemistry 63:265-286. DOI:10.1146/annurev-physchem-032511-143722

Gladysz JA, ZT Ball, G Bertrand, SA Blum, VM Dong, R Dorta, FE Hahn, MG Humphrey, WD Jones, J Klosin, I Manners, TJ Marks, JM Mayer, B Rieger, JC Ritter, AP Sattelberger, JM Schomaker, and VWW Yam. 2012. "Organometallics Roundtable 2011." Organometallics 31:1-18. DOI: 10.1021/om201234x

Hackett GA, KR Gerdes, X Song, Y Chen, V Shutthanandan, MH Engelhard, Z Zhu, S Thevuthasan, and R Gemmen. 2012. "Performance of Solid Oxide Fuel Cells Operated with Coal Syngas Provided Directly from a Gasification Process."  Journal of Power Sources 214:142-152. DOI:10.1016/j.jpowsour.2012.04.050

Hardy JS, JW Templeton, DJ Edwards, Z Lu, and JW Stevenson. 2012. "Lattice Expansion of LSCF-6428 Cathodes Measured by In Situ XRD during SOFC Operation." Journal of Power Sources 198:76-82. DOI:10.1016/j.jpowsour.2011.09.099

Horvath, S, LE Fernandez, AV Soudackov, and S Hammes-Schiffer. 2012. "Insights into Proton-Coupled Electron Transfer Mechanisms of Electrocatalytic H₂ Oxidation and Production." Proceedings of the National Academy of Sciences USA 109, 15663-15668. DOI: 10.1073/pnas.1118333109

Hu JZ, JA Sears, Jr, HS Mehta, JJ Ford, JH Kwak, K Zhu, Y Wang, J Liu, DW Hoyt, and CHF Peden. 2012. "A Large Sample Volume Magic Angle Spinning Nuclear Magnetic Resonance Probe for In-Situ Investigations with Constant Flow of Reactants." Physical Chemistry Chemical Physics. PCCP 14(7):2137-2143. DOI:10.1039/c1cp22692d

• Research Highlight

Huang Z, and T Autrey. 2012. "Boron-Nitrogen-Hydrogen (BNH) Compounds: Recent Developments in Hydrogen Storage, Applications in Hydrogenation and Catalysis, and New Syntheses." Energy & Environmental Science 5(11):9257-9268. DOI:10.1039/c2ee23039a

Jain A, GW Buchko, ML Reback, MJ O'Hagan, B Ginovska-Pangovska, JC Linehan, and WJ Shaw. 2012. "Active Hydrogenation Catalyst with a Structured, Peptide-Based Outer-Coordination Sphere." ACS Catalysis 2(10):2114-2118. DOI:10.1021/cs3004177

Jain A, ML Helm, JC Linehan, DL DuBois, and WJ Shaw. 2012. "Biologically Inspired Phosphino Platinum Complexes." Inorganic Chemistry Communications 22(1):65-67. DOI:10.1016/j.inoche.2012.04.039

Jain A, ML Reback, ML Lindstrom, CE Thogerson, ML Helm, AM Appel, and WJ Shaw.  2012.  "Investigating the Role of the Outer-Coordination Sphere in [Ni(P^Ph₂N^Ph-R₂)₂]²⁺ Hydrogenase Mimics." Inorganic Chemistry 51(12):6592-6602.  DOI:10.1021/ic300149x

Jeong S, H Kim, JA Bae, DH Kim, CHF Peden, YK Park, and JK Jeon.2012."Synthesis of Butenes through 2-Butanol Dehydration over Mesoporous Materials Produced from Ferrierite." Catalysis Today 185(1):191-197. DOI:10.1016/j.cattod.2011.09.017

Karim AM, CJ Howard, BQ Roberts, L Kovarik, L Zhang, DL King, and Y Wang. 2012. "In Situ X-ray Absorption Fine Structure Studies on the Effect of pH on Pt Electronic Density during Aqueous Phase Reforming of Glycerol." ACS Catalysis 2(11):2387-2356. DOI:10.1021/cs3005049

Kaspar TC, A Ney, AN Mangham, SM Heald, Y Joly, V Ney, F Wilhelm, A Rogalev, F Yakou, and SA Chambers. 2012. "Structure of Epitaxial (Fe,N) Codoped Rutile TiO₂ Thin Films by X-Ray Absorption." Physical Review: Condensed Matter and Materials Physics 86(3):035322. DOI:10.1103/PhysRevB.86.035322

Kathmann SM, CJ Mundy, GK Schenter, T Autrey, PC Aeberhard, W David, MO Jones, and T Ramirez-Cuesta. 2012. "Understanding Vibrational Anharmonicity and Phonon Dispersion in Solid Ammonia Borane." Journal of Physical Chemistry C 116(9):5926-5931. DOI:10.1021/jp207540x

Katz JE, X Zhang, K Attenkofer, KW Chapman, C Frandsen, PP Zarzycki, KM Rosso, R Falcone, G Waychunas, and B Gilbert. 2012. "Electron small polarons and their mobility in iron (oxyhydr)oxide nanoparticles." Science 337(6099):1200-1203. doi:10.1126/science.1223598

Kerber PB, LM Porter, LA McCullough, T Kowalewski, MH Engelhard, and DR Baer. 2012. "Study of Surface Cleaning Methods and Pyrolysis Temperature on Nano-Structured Carbon Films using X-ray Photoelectron Spectroscopy." Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 30(6):061407. DOI:10.1116/1.4759238

Kim B, Z Li, BD Kay, Z Dohnalek, and YK Kim. 2012. "The Effect of Oxygen Vacancies on the Binding Interactions of NH3 with Rutile TiO₂(110) -1�1." Physical Chemistry Chemical Physics. PCCP 14(43):15060-15065. DOI:10.1039/C2CP42754K

Kim DH, KK Mudiyanselage, J Szanyi, H Zhu, JH Kwak, and CHF Peden. 2012. "Characteristics of Pt-K/MgAl₂O₄ Lean NOx Trap Catalysts." Catalysis Today 184(1):2-7. DOI:10.1016/j.cattod.2011.11.024

Kim DH, GG Muntean, CHF Peden, K Howden, N Currier, J Li, R Stafford, A Yezerets, H Chen, and H. Hess. 2012. "Enhanced High Temperature Performance of NOx Storage/Reduction (NSR) Materials." Chapter II.B.2, pp. 182-187 in: the DOE Report, Advanced Combustion Engine Research and Developmen.

Kim DH, JH Kwak, J Szanyi, and CHF Peden. 2012. "Isothermal Desulfation of Pre-sulfated Pt-BaO/γ-Al₂O₃ Lean NOx Trap Catalysts with H₂: The Effect of H₂ Concentration and the Roles of CO₂ and H₂O."Applied Catalysis B: Environmental 111-112(1):342-348. DOI:10.1016/j.apcatb.2011.10.017

Kim DH, A Yezerets, J Li, N Currier, H Chen, H Hess, MH Engelhard, GG Muntean, and CHF Peden. 2012. "Effect of Sulfur Loading on the Desulfation Chemistry of a Commercial Lean NOx Trap Catalyst." Catalysis Today 197(1):3-8. DOI: 10.1016/j.cattod.2012.05.040

Kimmel GA, MD Baer, NG Petrik, J VandeVondele, RJ Rousseau, and CJ Mundy. 2012. "Polarization- and Azimuth-resolved Infrared Spectroscopy of Water on TiO₂(110): Anisotropy and the Hydrogen-bonding Network." The Journal of Physical Chemistry Letters 3(6):778-784. DOI:10.1021/jz3001079

Kuchibhatla SVNT, AS Karakoti, DR Baer, S Samudrala, MH Engelhard, JE Amonette, S Thevuthasan, and S Seal. 2012. "Influence of Aging and Environment on Nanoparticle Chemistry: Implication to Confinement Effects in Nanoceria." Journal of Physical Chemistry C 116(26):14108-14114. DOI:10.1021/jp300725s

Kuchibhatla SVNT, V Shutthanandan, TJ Prosa, P Adusumilli, BW Arey, A Buxbaum, YC Wang, T Tessner, RM Ulfig, CM Wang, and S Thevuthasan. 2012."Three-dimensional Chemical Imaging of Embedded Nanoparticles using Atom Probe Tomography." Nanotechnology 23(21): Article No. 215704. DOI:10.1088/0957-4484/23/21/215704

Kumar A, R Devanathan, V Shutthanandan, SVNT Kuchibhatla, AS Karakoti, Y Yang, S Thevuthasan, and S Seal. 2012. "Radiation-induced Reduction of Ceria in Single and Polycrystalline Thin Films." Journal of Physical Chemistry C 116(1):361-366. DOI: 10.1021/jp209345w

Kwak JH, DH Kim, J Szanyi, SJ Cho, and CHF Peden. 2012. "Enhanced High Temperature Performance of MgAl₂O₄-Supported Pt-BaO Lean NOx Trap Catalysts." Topics in Catalysis 55(1-2):70-77. DOI:10.1007/s11244-012-9779-1

Kwak JH, DN Tran, SD Burton, J Szanyi, JH Lee, and CHF Peden. 2012. "Effects of Hydrothermal Aging on NH₃-SCR Reaction over Cu/Zeolites." Journal of Catalysis 287(1):203-209. DOI:10.1016/j.jcat.2011.12.025

Kwak JH, DN Tran, J Szanyi, CHF Peden, and JH Lee. 2012. "The Effect of Copper Loading on the Selective Catalytic Reduction of Nitric Oxide by Ammonia over Cu-SSZ-13." Catalysis Letters 142(3):295-301. DOI:10.1007/s10562-012-0771-y

Kwak JH, H Zhu, JH Lee, CHF Peden, and J Szanyi. 2012. "Two Different Cationic Positions in Cu-SSZ-13?" Chemical Communications 48(39):4758-4760. DOI:10.1039/C2CC31184D

Lense S, MH Ho, S Chen, A Jain, S Raugei, JC Linehan, JA Roberts, AM Appel, and WJ Shaw. 2012. "Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base." Organometallics 31(19):6719-6731. DOI:10.1021/om300409y

Li X, WN Qi, D Mei, ML Sushko, IA Aksay, and J Liu. 2012. "Functionalized Graphene Sheets as Molecular Templates for Controlled Nucleation and Self-Assembly of Metal Oxide-Graphene Nanocomposites." Advanced Materials 24(37):5136-5141. doi:10.1002/adma.201202189

Lin X, Y Yoon, NG Petrik, Z Li, Z Wang, VA Glezakou, BD Kay, I Lyubinetsky, GA Kimmel, RJ Rousseau, and Z Dohnalek. 2012. "Structure and Dynamics of CO₂ on Rutile TiO₂(110)-1×1." Journal of Physical Chemistry C 116(50):26322-26334. DOI: 10.1021/jp308061j

• Research highlight: The Complexities of a Simple Molecule

Liu J, J Tian, PK Thallapally, and BP McGrail. 2012. "Selective CO₂ Capture from Flue Gas Using Metal-Organic Frameworks-A Fixed Bed Study." Journal of Physical Chemistry C 116(17):9575-9581. DOI:10.1021/jp300961j

Liu TL, S Chen, MJ O'Hagan, M Rakowski DuBois, RM Bullock, and DL DuBois. 2012. "Synthesis, Characterization and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H₂." Journal of the American Chemical Society 134(14):6257-6272. DOI:10.1021/ja211193j

Liu W, JE Holladay, F Zheng, AR Cooper, HM Brown, J Li, and Y Rao. 2012. Catalytic Conversion of Biomass to Fuels and Chemicals Using Ionic Liquids. PNNL-21304, Pacific Northwest National Laboratory, Richland, Washington.

Look DC, T Droubay, and SA Chambers 2012. "Stable Highly Conductive ZnO via Reduction of Zn Vacancies." Applied Physics Letters 101(10): Art. No. 102101. DOI:10.1063/1.4748869

Look DC, T Droubay, and SA Chambers. 2012. "Stable highly conductive ZnO via reduction of Zn vacancies." Applied Physics Letters 101(10):Article No. 102101. doi:10.1063/1.4748869

Lu Z, JS Hardy, JW Templeton, and JW Stevenson. 2012. "Extended Reaction Zone of La_0.6Sr_0.4Co_0.2Fe_0.8O₃ Cathode for Solid Oxide Fuel Cell." Journal of Power Sources 198:90-94. DOI:10.1016/j.jpowsour.2011.09.020

Matson, BD, CT Carver, A Von Ruden, JY Yang, S Raugei, and JM Mayer. 2012. "Distant Protonated Pyridine Groups in Water-Soluble Iron Porphyrin Electrocatalysts Promote Selective Oxygen Reduction to Water." Chemical Communications 48, 11100-11102. DOI: 10.1039/C2CC35576K

• Research highlight: A Pathway for Protons

Mcdowell MT, I Ryu, S Lee, CM Wang, WD Nix, and Y Cui. 2012. "Studying the Kinetics of Crystalline Silicon Nanoparticle Lithiation with In-Situ Transmission Electron Microscopy." Advanced Materials 24(45):6034-6041. DOI:10.1002/adma.201202744 Stewart ML, and A Zelenyuk. 2012. Fuel-Neutral Studies of PM Transportation Emissions. PNNL-22013, Pacific Northwest National Laboratory, Richland, WA.

Mei D and Q Ge.2012. "A DFT+U Study of Structure and Reducibility of CenO2n-x (n?4, 0?x?n) Nanoclusters." Computational and Theoretical Chemistry 987:25-31. DOI:10.1016/j.comptc.2011.11.009

Mercado CC, FJ Knorr, JL McHale, SM Usmani, AS Ichimura, and LV Saraf.2012."Location of Hole and Electron Traps on Nanocrystalline Anatase TiO< sub>2." Journal of Physical Chemistry C 116(19):10796-10804. DOI:10.1021/jp301680d

Moon GH, Y Shin, BW Arey, CM Wang, GJ Exarhos, W Choi, and J Liu. 2012. "Carbon Dioxide-Assisted Fabrication of Highly Uniform Submicron-Sized Colloidal Carbon Spheres via Hydrothermal Carbonization Using Soft Drink." Colloid and Polymer Science 290(15):1567-1573. DOI:10.1007/s00396-012-2729-4

O'Hagan M, MH Ho, JY Yang, AM Appel, M Rakowski DuBois, S Raugei, WJ Shaw, DL DuBois, and RM Bullock. 2012. "Proton Delivery and Removal in [Ni(P^R₂N^R'₂)₂]²⁺ Hydrogen Production and Oxidation Catalysts" Journal of the American Chemical Society 134, 19409-19424. DOI: 10.1021/ja307413x

Padmaperuma AB and CA Fernandez. 2012. "Heteroleptic Cyclometalated Ir(III) Complexes with Charge Transporting Groups: A Theoretical Study." In: SPIE Proceedings 8476:2012. SPIE, San Diego, California.

Peden CHF, JH Kwak, SD Burton, RG Tonkyn, DH Kim, JH Lee, HW Jen, G Cavattaio, Y Cheng, and C Lambert. 2012. "Possible Origin of Improved High Temperature Performance of Hydrothermally Aged Cu/beta Zeolite Catalysts." Catalysis Today 184(1):245-251. DOI:10.1016/j.cattod.2011.11.008

Pool, DH, MP Stewart, MJ O'Hagan, WJ Shaw, JAS Roberts, RM Bullock, and DL DuBois. 2012. "Acidic Ionic Liquid/Water Solution as Both Medium and Proton Source for Electrocatalytic H2 Evolution by [Ni(P₂N₂)₂]²⁺ Complexes." Proceedings of the National Academy of Sciences USA 109, 15634-15639. DOI: 10.1073/pnas.1120208109

• Research highlight: Ionic Liquid Improves Speed and Efficiency of Hydrogen-Producing Catalyst

Powell MR, KD Meinhardt, VL Sprenkle, LA Chick, and GL McVay.2012."Demonstration of a Highly Efficient Solid Oxide Fuel Cell Power System Using Adiabatic Steam Reforming and Anode Gas Recirculation." Journal of Power Sources 205:377-384. DOI:10.1016/j.jpowsour.2012.01.098

Raugei S, S Chen, MH Ho, B Ginovska-Pangovska, RJ Rousseau, M Dupuis, DL DuBois, and RM Bullock. 2012. "The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes." Chemistry - A European Journal 18(21):6493-6506. DOI:10.1002/chem.201103346

Reback ML, B Ginovska-Pangovska, MH Ho, A Jain, TC Squire, S Raugei, JAS Roberts, and WJ Shaw. 2012. "The Role of a Dipeptide Outer-Coordination Sphere on H2-Production Catalysts: Influence on Catalytic Rates and Electron Transfer." Chemistry: A European Journal 19(6):1928-1941. DOI: 10.1002/chem.201202849

Rios D, GE Schoendorff, MJ Van Stipdonk, MS Gordon, TL Windus, JK Gibson, and WA De Jong. 2012. "Roles of Acetone and Diacetone Alcohol in Coordination and Dissociation Reactions of Uranyl Complexes." Inorganic Chemistry 51(23):12768-12775. DOI: 10.1021/ic3015964

Sams RL, SS Xantheas, and TA Blake. 2012. "Vapor Phase Infrared Spectroscopy and Ab Initio Fundamental Anharmonic Frequencies of Ammonia Borane." Journal of Physical Chemistry A 116(12):3124-3136. DOI:10.1021/jp2115753

Schaef HT, ES Ilton, O Qafoku, PF Martin, AR Felmy, and KM Rosso. 2012. "In Situ XRD Study of Ca²⁺ Saturated Montmorillonite (STX-1) Exposed to Anhydrous and Wet Supercritical Carbon Dioxide." International Journal of Greenhouse Gas Control 6(1):220-229. DOI:10.1016/j.ijggc.2011.11.001

Schmieg SJ, SH Oh, CH Kim, DB Brown, JH Lee, CHF Peden, and DH Kim. 2012. "Thermal Durability of Cu-CHA NH₃-SCR Catalysts for Diesel NOx Reduction." Catalysis Today 184(1):252-261. DOI:10.1016/j.cattod.2011.10.034

Seu C, AM Appel, MD Doud, DL DuBois, and C Kubiak. 2012. "Formate Oxidation via β-deprotonation in [Ni(P^R₂N^R′₂)₂(CH₃CN)]²⁺ Complexes." Energy & Environmental Science 5(4):6480-6490. DOI:10.1039/c2ee03341k

Shao Y, SK Park, J Xiao, J Zhang, Y Wang, and J Liu.2012. "Electrocatalysts for Nonaqueous Lithium-Air Batteries: Status, Challenges, and Perspective." ACS Catalysis 2(5):844-857. DOI:10.1021/cs300036v

She X, JH Kwak, J Sun, JZ Hu, MY Hu, CM Wang, CHF Peden, and Y Wang. 2012. "Highly Dispersed and Active ReOx on Alumina-Modified SBA-15 Silica for 2-Butanol Dehydration." ACS Catalysis 2(6):1020-1026. DOI:10.1021/cs2006444

Smid B, Z Li, A Dohnalkova, BW Arey, RS Smith, V Matolin, BD Kay, and Z Dohnalek. 2012. "Characterization of Nanoporous WO₃ Films Grown via Ballistic Deposition." Journal of Physical Chemistry C 116(19):10649-10655. DOI:10.1039/C2CP23438F

Smieja JM, EE Benson, B Kumar, KA Grice, CS Seu, AJM Miller, JM Mayer, and CP Kubiak. 2012. "Kinetic and Structural Studies, Origins of Selectivity, and Interfacial Charge Transfer in the Artificial Photosynthesis of CO" Proceedings of the National Academy of Sciences USA 109:15646-15650. DOIi: 10.1073/pnas.1119863109

Smith, SE, JY Yang, DL DuBois, and RM Bullock. 2012. "Reversible Electrocatalytic Production and Oxidation of Hydrogen at Low Overpotentials by a Functional Hydrogenase Mimic." Angewandte Chemie International Edition 51, 3152-3155. DOI: 10.1002/anie.201108461

• Research highlight: Catalyst Masters Reverse

Song P, XY Zhang, M Sun, XL Cui, and Y Lin. 2012. "Graphene Oxide Modified TiO₂ Nanotube Arrays: Enhanced Visible Light Photoelectrochemical Properties." Nanoscale 4(5):1800-1804. DOI:10.1039/C2NR11938B

Song P, XY Zhang, M Sun, XL Cui, and Y Lin. 2012. "Synthesis of Graphene Nanosheets via oOalic Acid-induced Chemical Reduction of Exfoliated Graphite Oxide." RSC Advances 2(3):1168-1173. DOI:10.1039/C1RA00934F

Song Z, TT Xu, M Gordin, Y Jiang, IT Bae, Q Xiao, H Zhan, J Liu, and D Wang.2012. "Polymer-Graphene Nanocomposites as Ultrafast-Charge and -Discharge Cathodes for Rechargeable Lithium Batteries." Nano Letters 12(5):2205-2211. DOI:10.1021/nl2039666

Sun M, XY Zhang, J Li, XL Cui, and Y Lin. 2012. "Thermal Formation of Silicon-doped TiO₂ Thin Films with Enhanced Visible Light Photoelectrochemical Response." Electrochemistry Communications 16(1):26-29. DOI:10.1016/j.elecom.2011.12.015

Szanyi J, M Daturi, G Clet, DR Baer, and CHF Peden. 2012. "Well-studied Cu-BTC Still Serves Surprises: Evidence for Facile Cu²⁺/Cu⁺ Interchange." Physical Chemistry Chemical Physics PCCP 14(13):4383-4390. DOI:10.1039/c2cp23708c

• See the research highlight
• Research highlight: The Copper Ion That Wasn't an Accident

Tronic, TA, W Kaminsky, MK Coggins and JM Mayer. 2012. "Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases." Inorganic Chemistry 51(20):10916-10928. DOI: 10.1021/ic3013987

van der Eide EF, P Yang, ED Walter, TL Liu, and RM Bullock. 2012. "Dinuclear Metalloradicals Featuring Unsupported Metal-Metal Bonds." Angewandte Chemie International Edition 51(33):8361-8364. DOI:10.1002/anie.201203531

van der Eide EF, TL Liu, DM Camaioni, ED Walter, and RM Bullock. 2012. "Facile Thermal W-W Bond Homolysis in the N-heterocyclic Carbene-containing Tungsten Dimer [CpW(CO)₂(IMe)]₂." Organometallics 31(5):1775-1789. DOI:10.1021/om201162g

• Research highlight: Searching for Molecular Radical's Secrets of Stability

Waidmann, CR, AJM Miller, CWA Ng, ML Scheuermann, TR Porter, TA Tronic, and JM Mayer. 2012. "Using Combinations of Oxidants and Bases as PCET Reactants: Thermochemical and Practical Considerations." Energy & Environmental Science 5, 7771-7780. DOI: 10.1039/C2EE03300C

Wanjala BN, B Fang, R Loukrakpam, Y Chen, MH Engelhard, J Luo, J Yin, L Yang, S Shan, and CJ Zhong. 2012. "Role of Metal Coordination Structures in Enhancement of Electrocatalytic Activity of Ternary Nanoalloys for Oxygen Reduction Reaction." ACS Catalysis 2:795-806. DOI:10.1021/cs300080k

Weiss CJ, AN Groves, MT Mock, WG Dougherty, WS Kassel, ML Helm, DL DuBois, and RM Bullock. 2012. "Synthesis and Reactivity of Molybdenum and Tungsten Bis(dinitrogen) Complexes Supported by Diphosphine Chelates Containing Pendant Amines." Dalton Transactions 41(15):4517-4529. DOI:10.1039/C2DT12224C

Wiebenga MH, CH Kim, SJ Schmieg, SH Oh, DB Brown, DH Kim, JH Lee, and CHF Peden. 2012. "Deactivation Mechanisms of Pt/Pd-based Diesel Oxidation Catalysts." Catalysis Today 184(1):197-204. DOI:10.1016/j.cattod.2011.11.014

Wiedner ES, JY Yang, S Chen, S Raugei, WG Dougherty, WS Kassel, ML Helm, RM Bullock, M Rakowski DuBois, and DL DuBois. 2012. "Stabilization of Nickel Complexes with Ni0•••H-N Bonding Interactions using Sterically Demanding Cyclic Diphosphine Ligands." Organometallics 31(1):144-156. DOI:10.1021/om200709z

Wiese S, UJ Kilgore, DL DuBois, and RM Bullock. 2012. "[Ni(PMe₂NPh₂)₂](BF₄)₂ as an Electrocatalyst for H₂ Production." ACS Catalysis 2:720-727. DOI:10.1021/cs30001h

Woehl TJ, JE Evans, I Arslan, WD Ristenpart, and ND Browning. 2012. "Direct in Situ Determination of the Mechanisms Controlling Nanoparticle Nucleation and Growth." ACS Nano 6(10):8599-8610. DOI:10.1021/nn303371y

Wu T, D Childers, C Gomez, AM Karim, N Schweitzer, A Kropf, H Wang, TB Bolin, Y Hu, L Kovarik, R Meyer, and JT Miller. 2012. "General Method for Determination of the Surface Composition in Bimetallic Nanoparticle Catalysts from the L Edge X-ray Absorption Near-Edge Spectra." ACS Catalysis 2(11):2433-2443. DOI:10.1021/cs3004566

Xu W, JZ Hu, MH Engelhard, SA Towne, JS Hardy, J Xiao, J Feng, MY Hu, J Zhang, F Ding, ME Gross, and J Zhang. 2012 ."The Stability of Organic Solvents and Carbon Electrode in Nonaqueous Li-O₂ Batteries." Journal of Power Sources 215:240-247. DOI:10.1016/j.jpowsour.2012.05.

Yezerets A, CHF Peden, J Szanyi, I Nova, and B Epling. 2012. "Preface: Special Issue on Catalytic Control of Lean-burn Engine Exhaust Emissions." Catalysis Today 184(1):1. DOI:10.1016/j.cattod.2012.02.011
See staff accomplishment

Yin J, S Shan, L Yang, D Mott, O Malis, V Petkov, F Cai, M Ng, J Luo, BH Chen, MH Engelhard, and CJ Zhong. 2012. "Gold-Copper Nanoparticles: Nanostructural Evolution and Bifunctional Catalytic Sites." Chemistry of Materials 24(24):4662-4674. DOI: 10.1021/cm302097c

Yu Y, B Chen, WN Qi, X Li, Y Shin, C Lei, and J Liu. 2012. " Enzymatic Conversion of CO₂ to Bicarbonate in Functionalized Mesoporous Silica. "Microporous and Mesoporous Materials 153:166-170. DOI:10.1016/j.micromeso.2011.12.005

Zhu Z, V Shutthanandan, and MH Engelhard. 2012. "An Investigation of Hydrogen Depth Profiling Using ToF-SIMS." Surface and Interface Analysis 44(2):232-237. DOI:10.1002/sia.3826

Zhu Z, and V Shutthanandan. 2012. "Are Cluster Ion Analysis Beams Good Choices for Hydrogen Depth Profiling using Time-of-Flight Secondary Ion Mass Spectrometry?" Surface and Interface Analysis 44(1):89-93. DOI:10.1002/sia.3776

2011

Albrecht KO and RT Hallen. 2011. A Brief Literature Overview of Various Routes to Biorenewable Fuels from Lipids for the National Alliance for Advanced Biofuels and Bio-products (NAABB) Consortium. PNNL-20279, Pacific Northwest National Laboratory, Richland, Washington.

Andersen A, SM Kathmann, MA Lilga, KO Albrecht, RT Hallen, and D Mei. 2011. "Adsorption of Potassium on the MoS₂(100) Surface: A First-Principles Investigation." Journal of Physical Chemistry C 115(18):9025-9040. DOI:10.1021/jp110069r

Appel AM, DH Pool, MJ O'Hagan, WJ Shaw, JY Yang, M Rakowski DuBois, DL DuBois, and RM Bullock. 2011. "[Ni(PPh₂NBn₂)₂(CH₃CN)]²⁺ as an Electrocatalyst for H₂ Production: Dependence on Acid Strength and Isomer Distribution." ACS Catalysis 1(7):777-785. DOI:10.1021/cs2000939

Auer B, LE Fernandez, and S Hammes-Schiffer. 2011. "Theoretical Analysis of Proton Relays in Electrochemical Proton-Coupled Electron Transfer." Journal of the American Chemical Society 133, 8282-8292. DOI:10.1021/ja201560v

Baer DR. 2011. "Summary of ISO/TC 201 Standard: ISO 29081: 2010, Surface Chemical Analysis- Auger Electron Spectroscopy - Reporting of Methods Used for Charge Control and Charge Correction." Surface and Interface Analysis 43(11):1444-1447. DOI:10.1002/sia.3724

Baer DR. 2011. "Surface Characterization of Nanoparticles: Critical Needs and Significant Challenges." Journal of Surface Analysis 17(3):163-169.

Boily JF, SME Chatman, and KM Rosso. 2011. "Inner-Helmholtz Potential Development at the Hematite (Alpha-Fe₂O₃)(001) Surface." Geochimica et Cosmochimica Acta 75(15):4113-4124.

Bonnet SA, JH Van Lenthe, HJJ van Dam, G van Koten, and RJ Klein Gebbink. 2011. "SO₂-Binding Properties of Cationic η6,η1-NCN-Pincer Arene Ruthenium Platinum Complexes: Spectroscopic and Theoretical Studies." Dalton Transactions 40(11):2542-2548. DOI:10.1039/C0DT01437K

Bowker RH, MC Smith, M Pease, KM Slenkamp, L Kovarik, and ME Bussell. 2011. "Synthesis and Hydrodeoxygenation Properties of Ruthenium Phosphide Catalysts." ACS Catalysis 1(8):917-922. DOI:10.1021/cs200238v

Bowden ME and T Autrey. 2011. "Characterization and Mechanistic Studies of the Dehydrogenation of NHxBHx Materials." Current Opinion in Solid State and Materials Science 15(2):73-79. DOI:10.1016/j.cossms.2011.01.005

Brooks KP, MN Devarakonda, SD Rassat, and JD Holladay. 2011. "Systems Modeling of Chemical Hydride Hydrogen Storage Materials for Fuel Cell Applications." Journal of Fuel Cell Science and Technology 8(6): Art. No. 061021. DOI:10.1115/1.4004477

Bullock RM. 2011. "A Mercurial Route to a Cobalt Dihydrogen Complex." Angewandte Chemie International Edition 50(18):4050-4052. DOI:10.1002/anie.201006731

Bylaska EJ, KL Tsemekhman, SB Baden, JH Weare, and H Jonsson. 2011. "Parallel Implementation of Gamma-Point Pseudopotential Plane-Wave DFT with Exact Exchange." Journal of Computational Chemistry 32(1):54-69. DOI:10.1002/jcc.21598

Cain JP, J Camacho, DJ Phares, H Wang, and A Laskin. 2011. "Evidence of Aliphatics in Nascent Soot Particles in Premixed Ethylene Flames." Proceedings of the Combustion Institute 33(1):533-540. DOI:10.1016/j.proci.2010.06.164

Campbell CT, AK Datye, GA Henkelman, RF Lobo, WF Schneider, LD Spicer, WT Tysoe, JM Vohs, DR Baer, DW Hoyt, S Thevuthasan, KT Mueller, CM Wang, NM Washton, I Lyubinetsky, RG Teller, A Andersen, N Govind, K Kowalski, BC Kabius, H Wang, AA Campbell, WA Shelton, EJ Bylaska, CHF Peden, Y Wang, DL King, MA Henderson, RJ Rousseau, J Szanyi, Z Dohnalek, D Mei, BC Garrett, D Ray, JH Futrell, J Laskin, DL DuBois, LR Kuprat, and C Plata. 2011. EMSL and Institute for Integrated Catalysis (IIC) Catalysis Workshop. PNNL-20426, Pacific Northwest National Laboratory, Richland, Washington.

Chambers SA. 2011. "Understanding the Mechanism of Conductivity at the LaAlO₃/SrTiO₃(001) Interface." Surface Science 605(13-14):1133-1140. DOI:10.1016/j.susc.2011.04.011

Chen D, W Hu, F Gao, H Deng, and L Sun. 2011. "Tungsten Cluster Migration on Nanoparticles: Minimum Energy Pathway and Migration Mechanism." The European Physical Journal B 80(1):31-40. DOI:10.1140/epjb/e2011-10629-9

Chen, S, R Rousseau, S Raugei, M Dupuis, DL DuBois, RM Bullock. 2011. "Comprehensive Thermodynamics of Nickel Hydride Bis(Diphosphine) Complexes: A Predictive Model through Computations." Organometallics 30, 6108-6118. DOI: 10.1021/om200645x

Choi D, J Xiao, YJ Choi, JS Hardy, M Vijayakumar, MS Bhuvaneswari, J Liu, W Xu, W Wang, Z Yang, GL Graff, and J Zhang. 2011. "Thermal Stability and Phase Transformation of Electrochemically Charged/Discharged LiMnPO₄ Cathode for Li-Ion Battery." Energy & Environmental Science 4(11):4560-4566. DOI:10.1039/C1EE01501J

Chong M, AJ Karkamkar, T Autrey, S Orimo, S Jalisatgi, and CM Jensen. 2011. "Reversible Dehydrogenation of Magnesium Borohydride to Magnesium Triborane in the Solid State Under Moderate Conditions." Chemical Communications 47(4):1330-1332. DOI:10.1039/C0CC03461D

Dagle RA, AM Karim, and DL King. 2011. "Fuel Processing for Fuel Cell Applications: "Water Gas Shift" Book Chapter." In: Fuel Processing for Fuel Cell Applications 1:361-408. Elsevier Science, Amsterdam, The Netherlands.

Deskins NA, RJ Rousseau, and M Dupuis. 2011. "Distribution of Ti³⁺ Surface Sites in Reduced TiO₂." Journal of Physical Chemistry C 115(15):7562-7572. DOI:10.1021/jp2001139

Devarakonda MN, KP Brooks, SD Rassat, and E Ronnebro. 2011. "Systems Modeling, Simulation and Material Operating Requirements for Chemical Hydride Based Hydrogen Storage." International Journal of Hydrogen Energy. DOI:10.1016/j.ijhydene.2011.06.121

Devarakonda M, R Tonkyn, D Tran, J Lee, and D Herling. 2011. "Modeling Species Inhibition of NO Oxidation in Urea-SCR Catalysts for Diesel Engine NOx Control." Journal of Engineering for Gas Turbines and Power 133(9):092805.

DuBois DL and RM Bullock. 2011. "Molecular Electrocatalysts for the Oxidation of Hydrogen and the Production of Hydrogen-The Role of Pendant Amines as Proton Relays." European Journal of Inorganic Chemistry 2011(7):1017-1027. DOI:10.1002/ejic.201001081

• See Research Highlight

Dupuis M, S Chen, S Raugei, DL DuBois, and RM Bullock. 2011. "Comment on 'New Insights in the Electrocatalytic Proton Reduction and Hydrogen Oxidation by Bioinspired Catalysts: A DFT Investigation'." Journal of Physical Chemistry A 115(18):4861-4865. DOI:10.1021/jp111479z

Eckert PA, A Laskin, J Laskin, and PJ Roach. 2011. Chemical Characterization of Crude Petroleum Using Nano-DESI Mass Spectrometry. PNNL-20825, Pacific Northwest National Laboratory, Richland, Washington.

Elliott DC. 2011. "Hydrothermal Processing." Chapter 7 in: Thermochemical Processing of Biomass: Conversion into Fuels, Chemicals and Power, Robert C. Brown, Editor, pp. 200-231. Wiley-Blackwell, Oxford, United Kingdom.

Engelhard MH. 2011. X-ray Photoelectron Spectroscopy (XPS) Analyze of TiO₂ Coated Silica Fibers. PNNL-20702, Pacific Northwest National Laboratory, Richland, Washington.

Feibelman PJ, GA Kimmel, RS Smith, NG Petrik, T Zubkov, and BD Kay. 2011. "A Unique Vibrational Signature of Rotated Water Monolayers on Pt(111): Predicted and Observed." Journal of Chemical Physics 134(20): Art. No. 204702. DOI:10.1063/1.3591966

Galan BR, J Schoffel, JC Linehan, C Seu, AM Appel, JA Roberts, ML Helm, UJ Kilgore, JY Yang, DL DuBois, and C Kubiak. 2011. "Electrocatalytic Oxidation of Formate by [Ni(P^R₂N^R`₂)₂(CH₃CN)]²⁺ Complexes." Journal of the American Chemical Society 133(32):12767-12779. DOI:10.1021/ja204489e

Ginovska B, DM Camaioni, and M Dupuis. 2011. "About the Barriers to Reaction of CCl₄ with HFeOH and FeCl₂." Journal of Physical Chemistry A 115(31):8713-8720. DOI:10.1021/jp2019928

Golovich EC, DM Wellman, CC Bovaird, JR Cort, JA Campbell, and DS Sklarew. 2011. PNNL Analysis of Cellulose Degradation Products (CDP) Cumulative Report. PNWD-4287, Battelle-Pacific Northwest Division, Richland, Washington.

Golovich EC, DM Wellman, CC Bovaird, DS Sklarew, and JA Campbell. 2011. PNNL Analysis of Cellulose Degradation Products (CDP) Quarterly Report. PNWD-4288, Battelle-Pacific Northwest Division, Richland, Washington.

Golovich EC, DM Wellman, JA Campbell, CC Bovaird, and DS Sklarew. 2011. PNNL Analysis of Cellulose Degradation Products (CDP) Quarterly Report. PNWD-4307, Battelle-Pacific Northwest Division, Richland, Washington.

Govind N, KA Lopata, RJ Rousseau, A Andersen, and K Kowalski. 2011. "Visible Light Absorption of N-Doped TiO₂ Rutile Using (LR/RT)-TDDFT and Active Space EOMCCSD Calculations." The Journal of Physical Chemistry Letters 2(21):2696-2701. DOI:10.1021/jz201118r

Hammes-Schiffer S. 2011. "Current Theoretical Challenges in Proton-Coupled Electron Transfer: Electron-Proton Nonadiabaticity, Proton Relays, and Ultrafast Dynamics." The Journal of Physical Chemistry Letters 2, 1410-1416. DOI:10.1021/jz200277p

Harvey SD, AD Eckberg, and PK Thallapally. 2011. "Evaluation of Copper-1,3,5-benzenetricarboxylate Metal-organic Framework (Cu-MOF) as a Selective Sorbent for Lewis-Base Analytes." Journal of Separation Science DOI:10.1002/jssc.201100317

Helm ML, MP Stewart, II, RM Bullock, M Rakowski DuBois, and DL DuBois. 2011. "A Synthetic Nickel Electrocatalyst With a Turnover Frequency Above 100,000 s^-1 for H₂ Production." Science 333(6044):863-866. DOI:10.1126/science.1205864

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Henderson MA. 2011. "Surface Chemistry of Trimethyl Phosphate on α-Fe₂O₃." Journal of Physical Chemistry C 115(47):23527-23534. DOI:10.1021/jp208978d

Henderson MA and KM Rosso. 2011. "Oxidation of H₂S by Coadsorbed Oxygen on the α-Cr₂O₃(0001) Surface." Surface Science 605(5-6):555-563. DOI:10.1016/j.susc.2010.12.016

Henderson MA, NA Deskins, RT Zehr, and M Dupuis. 2011. "Generation of Organic Radicals During Photocatalytic Reactions on TiO₂." Journal of Catalysis 279(1):205-212. DOI:10.1016/j.jcat.2011.01.021

Hoyt DW, RVF Turcu, JA Sears, Jr, KM Rosso, SD Burton, AR Felmy, and JZ Hu. 2011. "High-pressure Magic Angle Spinning Nuclear Magnetic Resonance." Journal of Magnetic Resonance 212(2):378-385. DOI:10.1016/j.jmr.2011.07.019

Ilton ES and PS Bagus. 2011. "XPS Determination of Uranium Oxidations States." Surface and Interface Analysis 43(13):1549-1560. DOI:10.1002/sia.3836

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Iqbal G, H Guo, BS Kang , and OA Marina. 2011. "Durability Prediction of Solid Oxide Fuel Cell Anode Material under Thermo-Mechanical and Fuel Gas Contaminants Effects." International Journal of Applied Ceramic Technology 8(1):13-22. DOI:10.1111/j.1744-7402.2009.02415.x

Johnson GE, CM Wang, TA Priest, and J Laskin. 2011. "Monodisperse Au₁₁ Clusters Prepared by Soft Landing of Mass Selected Ions." Analytical Chemistry 83(21):8069-8072. DOI:10.1021/ac202520p

Johnson GE, Q Hu, and J Laskin. 2011. "Soft Landing of Complex Molecules on Surfaces." Annual Review of Analytical Chemistry 4(1):83-104. DOI:10.1146/annurev-anchem-061010-114028

Kerisit SN. 2011. "Water Structure at Hematite-Water Interfaces." Geochimica et Cosmochimica Acta 75(8):2043-2061. DOI:10.1016/j.gca.2011.01.026

Kilgore UJ, MP Stewart, II, ML Helm, WG Dougherty, WS Kassel, M Rakowski DuBois, DL DuBois, and RM Bullock. 2011. "Studies of a Series of [Ni(P^R₂N^Ph₂)₂(CH₃CN)]²⁺ Complexes as Electrocatalysts for H₂ Production: Substituent Variation at the Phosphorus Atom of the P₂N₂ Ligand." Inorganic Chemistry 50(21):10908-10918. DOI:10.1021/ic201461a

Kim H, KE Jeong, SY Jeong, YK Park, DH Kim, and JK Jeon. 2011. "Utilization of a By-product Produced from Oxidative Desulfurization Process over Cs-Mesoporous Silica Catalysts." Journal of Nanoscience and Nanotechnology 11(2):1706-1709. DOI:10.1166/jnn.2011.3333

Kim DH, JH Lee, CHF Peden, K Howden, CH Kim, SH Oh, SJ Schmieg, and MH Wiebenga. 2011. Final Report of a CRADA between Pacific Northwest National Laboratory and the General Motors Company (CRADA No. PNNL/271): "Degradation Mechanisms of Urea Selective Catalytic Reduction Technology." PNNL-20998, Pacific Northwest National Laboratory, Richland, WA.

Kilgore UJ, JA Roberts, DH Pool, AM Appel, MP Stewart, II, M Rakowski DuBois, WG Dougherty, WS Kassel, RM Bullock, and DL DuBois. 2011. "[Ni(P^Ph₂N^C6H4X₂)₂]²⁺ Complexes as Electrocatalysts for H₂ Production: Effect of Substituents, Acids, and Water on Catalytic Rates." Journal of the American Chemical Society 133(15):5861-587. DOI:10.1021/ja109755f

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Kim H, KE Jeong, SY Jeong, YK Park, DH Kim, and JK Jeon. 2011. "Utilization of a By-product Produced from Oxidative Desulfurization Process over Cs-Mesoporous Silica Catalysts." Journal of Nanoscience and Nanotechnology 11(2):1706-1709. DOI:10.1166/jnn.2011.3333

Kim JY, T Oh, Y Shin, JF Bonnett, and KS Weil. 2011. "A Novel Non-Platinum Group Electrocatalyst for PEM Fuel Cell Application." International Journal of Hydrogen Energy 36(7):4557-4564.

Koch R, AS Lipton, S Filipek, and VM Renugopalakrishnan. 2011. "Arginine Interactions with Anatase TiO₂ (100) Surface and the Perturbation of 49Ti NMR Chemical Shifts - A DFT Investigation: Relevance to Renu-Seeram Bio Solar Cell." Journal of Molecular Modeling 17(6):1467-1472. DOI:10.1007/s00894-010-0853-y

Kou R, Y Shao, D Mei, Z Nie, D Wang, C Wang, VV Viswanathan, S Park, I A Aksay, Y Lin, Y Wang and J Liu. 2011. "Stabilization of Electrocatalytic Material Nanoparticles at Metal-Metal Oxide-Graphene Triple Junction Points." Journal of the American Chemical Society 133(8):2541-2547. DOI:10.1021/ja107719

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Kwak JH, CHF Peden, and J Szanyi. 2011. "Using a Surface-sensitive Chemical Probe and a Bulk Structure Technique to Monitor the γ- to θ-Al₂O₃ Phase Transformation." Journal of Physical Chemistry C 115(25):12575-12579. DOI:10.1021/jp203541a

Kwak JH, D Mei, CHF Peden, RJ Rousseau, and J Szanyi. 2011. "(100) Facets of γ-Al₂O₃: The Active Surfaces for Alcohol Dehydration Reactions." Catalysis Letters 141(5):649-655. DOI:10.1007/s10562-010-0496-8

Lea AS, BC Kabius, BW Arey, L Kovarik, CM Wang, G Orr, I Lyubinetsky, and RR Carper. 2011. "Quietly Building Capabilities: New Instruments, Expertise, 'Quiet Wing' Available at DOE User Facility." Microscopy Today 19(5):48-53. DOI:10.1017/S1551929511000964

Lebarbier VMC, D Mei, DH Kim, A Andersen, JL Male, JE Holladay, RJ Rousseau, and Y Wang. 2011. "Effects of La₂O₃ on the Mixed Higher Alcohols Synthesis from Syngas over Co Catalysts: A Combined Theoretical and Experimental Study." Journal of Physical Chemistry C 115(35):17440-17451. DOI:10.1021/jp204003q

Li Z, Z Zhang, BD Kay, and Z Dohnalek. 2011. "Polymerization of Formaldehyde and Acetaldehyde on Ordered (WO₃)₃ Films on Pt(111)." Journal of Physical Chemistry C 115(19):9692-9700. DOI:10.1021/jp202169x

Li X, Y Cao, WN Qi, LV Saraf, J Xiao, Z Nie, J Mietek, J Zhang, B Schwenzer, and J Liu. 2011. "Optimization of Mesoporous Carbon Structures for Lithium-Sulfur Battery Applications." Journal of Materials Chemistry 21(41):16603-16610. DOI:10.1039/C1JM12979A

Li Z, Z Zhang, YK Kim, RS Smith, F Netzer, BD Kay, RJ Rousseau, and Z Dohnalek. 2011. "Growth of Ordered Ultrathin Tungsten Oxide Films on Pt(111)." Journal of Physical Chemistry C 115(13):5773-5783. DOI:10.1021/jp1108976

Li Z, Y Wang, D Du, Z Tang, J Wang, and Y Lin. 2011. "Functionalization of Graphene and Graphene Oxide for Biosensing and Imaging ." In 2011 11th IEEE International Conference on Nanotechnology, pp. 612-616. Institute of Electrical and Electronics Engineers, New York.

Ling S, D Mei, and MS Gutowski. 2011. "Reactivity of Hydrogen and Methanol on (001) Surfaces of WO₃, ReO₃, WO₃/ReO₃ and ReO₃/WO₃." Catalysis Today 165(1):41-48. DOI:10.1016/j.cattod.2011.01.017

Liu W, J Zhang, NL Canfield, and LV Saraf. 2011. "Preparation of Robust, Thin Zeolite Membrane Sheet for Molecular Separation." Journal of Industrial & Engineering Chemistry 50(20):11677-11689. DOI:10.1021/ie200519b

Liu W, Y Rao, H Wan, AJ Karkamkar, J Liu, and LQ Wang. 2011. "Bubbling Reactor Technology for Rapid Synthesis of Uniform, Small MFI-Type Zeolite Crystals." Industrial and Engineering Chemistry Research 50(12):7241-7250. DOI:10.1021/ie102069z

Mangham AN, N Govind, ME Bowden, V Shutthanandan, AG Joly, MA Henderson, and SA Chambers. 2011. "Photochemical Properties, Composition, and Structure in Molecular Beam Epitaxy Grown Fe "Doped" and (Fe,N) Codoped Rutile TiO₂(110)." Journal of Physical Chemistry C 115(31):15416-15424. DOI:10.1021/jp203061n

Manke KL, KS Lang, and KB Pakizer. 2011. "Saving the Sun for a Rainy Day." PNNL-SA-77044, Pacific Northwest National Laboratory, Richland, Washington [Video].
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Marina OA, CA Coyle, MH Engelhard, and LR Pederson. 2011. "Mitigation of Sulfur Poisoning of Ni/Zirconia SOFC Anodes by Antimony and Tin." Journal of the Electrochemical Society 158(4):B424-B429. Permalink: http://dx.doi.org/10.1149/1.3552357

Marina OA, LR Pederson, CA Coyle, EC Thomsen, and DJ Edwards. 2011. "Polarization-Induced Interfacial Reactions between Nickel and Selenium in Ni/Zirconia SOFC Anodes and Comparison with Sulfur Poisoning." Journal of the Electrochemical Society 158(1):b36-b43. Permalink: http://dx.doi.org/10.1149/1.3505936

Mei D and G Lin. 2011. "Effects of Heat and Mass Transfer on the Kinetics of CO Oxidation over RuO₂(110) Catalyst." Catalysis Today 165(1):56-63. DOI:10.1016/j.cattod.2010.11.041

Mei D, AM Karim, and Y Wang. 2011. "Density Functional Theory Study of Acetaldehyde Hydrodeoxygenation on MoO₃." Journal of Physical Chemistry C 115(16):8155-8164. DOI:10.1021/jp200011j

Mock MT, RG Potter, MJ O'Hagan, DM Camaioni, WG Dougherty, WS Kassel, and DL DuBois.2011."Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds." Inorganic Chemistry 50(23):11914-11928. DOI:10.1021/ic200857x

• Research highlight: Helping Hydrogen Move Back Home

Mock MT, S Chen, RJ Rousseau, WG Dougherty, WS Kassel, DL DuBois, RM Bullock, and MJ O'Hagan. 2011. "A Rare Terminal Dinitrogen Complex of Chromium." Chemical Communications 47(44):12212-12214. DOI:10.1039/C1CC15430C

Motkuri RK, PK Thallapally, SK Nune, CA Fernandez, BP McGrail, and JL Atwood. 2011. "Role of Hydrocarbons in Pore Expansion and Contraction of a Flexible Metal-organic Framework." Chemical Communications 47(25):7077-7079. DOI:10.1039/c1cc11738f

Mudiyanselage K, CW Yi, and J Szanyi. 2011. "Reactions of NO₂ with BaO/Pt(111) Model Catalysts: The Effects of BaO Film Thickness and NO₂ Pressure on the Formation of Ba(NOx)₂ Species." Physical Chemistry Chemical Physics. PCCP 13(23):11016-11026.

Oh TK, JY Kim, Y Shin, MH Engelhard, and KS Weil. 2011. "Effects of Tungsten Oxide Addition on the Electrochemical Performance of Nanoscale Tantalum Oxide-Based Electrocatalysts for Proton Exchange Membrane PEM Fuel Cells." Journal of Power Sources 196(15):6099-6103. DOI:10.1016/j.jpowsour.2011.03.058

O'Hagan MJ, WJ Shaw, S Raugei, S Chen, JY Yang, UJ Kilgore, DL DuBois, and RM Bullock. 2011. "Moving Protons with Pendant Amines: Proton Mobility in a Nickel Catalyst for Oxidation of Hydrogen." Journal of the American Chemical Society 133(36):14301-14312. DOI:10.1021/ja201838x

Pan Y, D Mei, C Liu, and Q Ge. 2011. "Hydrogen Adsorption on Ga₂O₃ Surface: A Combined Experimental and Computational Study." Journal of Physical Chemistry C 115(20):10140-10146. DOI:10.1021/jp2014226

Park SK, Y Shao, R Kou, VV Viswanathan, SA Towne, PC Rieke, J Liu, Y Lin, and Y Wang. 2011. "Polarization Losses under Accelerated Stress Test Using Multiwalled Carbon Nanotube Supported Pt Catalyst in PEM Fuel Cells." Journal of the Electrochemical Society 158(3):B297-B302. DOI:10.1149/1.3530843

Park SK, Y Shao, H Wan, PC Rieke, VV Viswanathan, SA Towne, LV Saraf, J Liu, Y Lin, and Y Wang. 2011. "Design of Graphene Sheets-supported Pt Catalyst Layer in PEM Fuel Cells." Electrochemistry Communications 13(3):258-261. DOI:10.1016/j.elecom.2010.12.028

Peng WP, GE Johnson, IC Fortmeyer, P Wang, O Hadjar, RG Cooks, and J Laskin. 2011. "Redox Chemistry in Thin Layers of Organometallic Complexes Prepared Using Ion Soft Landing." Physical Chemistry Chemical Physics. PCCP 13(1):267-275. DOI:10.1039/C0CP01457E

Petrik NG, and GA Kimmel. 2011. "Oxygen Photochemistry on TiO₂(110): Recyclable, Photoactive Oxygen Produced by Annealing Adsorbed O₂." The Journal of Physical Chemistry Letters 2(21):2790-2796. DOI:10.1021/jz201225c

Petrik NG, and GA Kimmel. 2011. "Electron- and Hole-Mediated Reactions in UV - Irradiated O₂ Adsorbed on Reduced Rutile TiO₂(110)." Journal of Physical Chemistry C 115(1):152-164. DOI:10.1021/jp108909p

Recknagle KP, EM Ryan, and MA Khaleel. 2011. A Distributed Electrochemistry Modeling Tool for Simulating SOFC Performance and Degradation. PNNL-20555, Pacific Northwest National Laboratory, Richland, Washington.

Recknagle KP, EM Ryan, and MA Khaleel. 2011. "Numerical Modeling of the Distributed Electrochemistry and Performance of Solid Oxide Fuel Cells." In: ASME 2011 International Mechanical Engineering Congress & Exposition. ASME 2011 International Mechanical Engineering Congress & Exposition, November 11-17, Denver, Colorado.

Roberts JA, DL DuBois, and RM Bullock. 2011. "Experimental and Digital Modeling Studies of the Electrochemical Oxidation of the Metal Anion [CpW(CO)₂(IMes)]- and the 17-Electron Metal Radical CpW(CO)₂(IMes)•. Kinetics and Thermodynamics of Capture and Release of MeCN by a Metal Radical and a Metal Cation." Organometallics 30(17):4555-4563. DOI:10.1021/om2002816

Roberts JA, AM Appel, DL DuBois, and RM Bullock. 2011. "Comprehensive Thermochemistry of W-H Bonding in the Metal Hydrides CpW(CO)₂(IMes)H, [CpW(CO)₂(IMes)H]•+, and [CpW(CO)₂(IMes)(H)₂]⁺. Influence of an N-Heterocyclic Carbene Ligand on Metal Hydride Bond Energies." Journal of the American Chemical Society 133(37):14604-14613. DOI:10.1021/ja202830w

Roberts JA, JA Franz, EF van der Eide, ED Walter, JL Petersen, DL DuBois, and RM Bullock. 2011. "Comproportionation of Cationic and Anionic Tungsten Complexes Having an N-Heterocyclic Carbene Ligand to Give the Isolable 17-Electron Tungsten Radical, CpW(CO)₂(IMes)•." Journal of the American Chemical Society 133(37):14593-14603. DOI:10.1021/ja202754e

Ronnebro E. 2011. "Development of Group II Borohydrides as Hydrogen Storage Materials." Current Opinion in Solid State and Materials Science 15(2):44-51. DOI:10.1016/j.cossms.2010.10.003

Sanghavi RP, R Devanathan, MI Nandasiri, SVNT Kuchibhatla, L Kovarik, S Thevuthasan, and S Prasad. 2011. "Integrated Experimental and Modeling Study of the Ionic Conductivity of Samaria-Doped Ceria Thin Films." Solid State Ionics 204-205:13-19. DOI:10.1016/j.ssi.2011.10.007>

Shen M and MA Henderson. 2011. "Identification of the Active Species in Photochemical Hole Scavenging Reactions of Methanol on TiO₂." The Journal of Physical Chemistry Letters 2(21):2707-2710. DOI:10.1021/jz201242k

Shen M and MA Henderson. 2011. "Impact of Solvent on Photocatalytic Mechanisms: Reactions of Photodesorption Products with Ice Overlayers on the TiO₂(110) Surface." Journal of Physical Chemistry C 115(13):5886-5893.

Shen M and MA Henderson. 2011. "Site Competition During Coadsorption of Acetone with Methanol and Water on TiO₂(110)." Langmuir 27(15):9430-9438. DOI:10.1021/la2016726

Shuai D, CM Wang, A Genc, and CJ Werth. 2011. "A New Geometric Method Based on Two-Dimensional Transmission Electron Microscopy for Analysis of Interior Versus Exterior Pd Loading on Hollow Carbon Nanofibers." The Journal of Physical Chemistry Letters 2(9):1082-1087. DOI:10.1021/jz2003815

Small, YA, DL DuBois, E Fujita, JT Muckerman. 2011. "Proton management as a design principle for hydrogenase-inspired catalysts." Energy & Environmental Science 4, 3008-3020. DOI: 10.1039/C1EE01170G

Smith SJ, AH Mizrahi, JF Karas, and M Nathan. 2011. US Renewable Futures in the GCAM. PNNL-20823, Pacific Northwest National Laboratory, Richland, Washington.

Song KC, JY Baek, JA Bae, JH Yim, YS Ko, DH Kim, YK Park, and JK Jeon. 2011. "Octene Hydroformylation by using Rhodium Complexes Tethered onto Selectively Functionalized Mesoporous Silica and In-Situ High Pressure IR Study." Catalysis Today 164(1):561-565. DOI:10.1016/j.cattod.2010.10.065

Stewart ML and A Zelenyuk. 2011. Fuel-Neutral Studies of PM Transportation Emissions. PNNL-20949, Pacific Northwest National Laboratory, Richland, Washington.

Strohm JJ and JE Holladay. 2011. "Hydropyrolysis Catalyst Development - A Lab-Industry Partnership." PNNL-SA-79974 Pacific Northwest National Laboratory, Richland, Washington.

Sun J, K Zhu, F Gao, CM Wang, J Liu, CHF Peden, and Y Wang. 2011. "Direct Conversion of Bio-ethanol to Isobutene on Nanosized Zn_xZr_yO_z Mixed Oxides with Balanced Acid-Base Sites." Journal of the American Chemical Society 133(29):11096-11099. DOI:10.1021/ja204235v

Sun X, CD Wick, PK Thallapally, BP McGrail, and LX Dang. 2011. "Computational Study of Hydrocarbon Adsorption in Metal-organic Framework Ni₂(dhtp)." Journal of Physical Chemistry B 115(12):2842-2849. DOI:10.1021/jp1115299

Sun X, CD Wick, PK Thallapally, BP McGrail, and LX Dang. 2011. "Molecular Mechanism of Hydrocarbons Binding to the Metal-Organic Framework." Chemical Physics Letters 501(4-6):455-460. DOI:10.1016/j.cplett.2010.11.070

Techane SD, DR Baer, and DG Castner. 2011. "Simulation and Modeling of Self-Assembled Monolayers of Carboxylic Acid Thiols on Flat and Nanoparticle Gold Surfaces." Analytical Chemistry. 83(17):6704-6712. DOI:10.1021/ac201175a

Teklemichael ST, WMH Oo, MC Matthew, ED Walter, and DW Hoyt. 2011. "Acceptors in ZnO Nanocrystals." Applied Physics Letters 98(23): Art. No. 232112. DOI:10.1063/1.3598411

Templeton JW, JW Stevenson, Z Lu, and JS Hardy. 2011. Effect of A-site Non-Stoichiometry on LSCF Cathodes. PNNL-20902, Pacific Northwest National Laboratory, Richland, WA.

Tian J, PK Thallapally, J Liu, GJ Exarhos, and JL Atwood. 2011. "Gas-Induced Solid State Transformation of an Organic Lattice: From Nonporous to Nanoporous." Chemical Communications 47(2):701-703. DOI:10.1039/C0CC04260A

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Tronic TA; M Rakowski DuBois, W Kaminsky, MK Werner, MK Coggins, T Liu, and JM Mayer. 2011. quot;Directing Protons to the Dioxygen Ligand of a Ruthenium(II) Complex with Pendent Amines in the Second Coordination Sphere." Angewandte Chemie. International Edition 50, 10936-10939. DOI:10.1002/anie.201105266

Vemuri VRSR, M Noor-A-Alam, SK Gullapalli, MH Engelhard, and CV Ramana.2011. "Nitrogen-Incorporation Induced Changes in the Microstructure of Nanocrystalline WO₃ Thin Films." Thin Solid Films 520(5):1446-1450. DOI:10.1016/j.tsf.2011.08.080

Yu J, ML Sushko, SN Kerisit, KM Rosso, and J Liu. 2012. "Kinetic Monte Carlo Study of Ambipolar Lithium Ion and Electron-Polaron Diffusion into Nanostructured TiO₂." The Journal of Physical Chemistry Letters 3(15):2076-2081. DOI:10.1021/jz300562v

Wagner M, S Surnev, M Ramsey, G Barcaro, L Sementa, FR Negreiros, A Fortunelli, Z Dohnalek, and FP Netzer. 2011. "Structure and Bonding of Tungsten Oxide Clusters on Nanostructured Cu-O Surfaces." Journal of Physical Chemistry C 115(47):23480-23487. DOI:10.1021/jp208207e

Wang CM, TC Kaspar, V Shutthanandan, AG Joly, and RJ Kurtz. 2011. "Structure of Cr Film Epitaxially Grown on MgO (001)." Acta Materialia 59(11):4274-4282. DOI:10.1016/j.actamat.2011.03.051

Wang W, S Kim, J Zhang, B Chen, Z Nie, G Xia, L Li, and Z Yang. 2011. "A New Redox Flow Battery Using Fe/V Redox Couples in Chloride Supporting Electrolyte." Energy & Environmental Science DOI:10.1039/C0EE00765J

Wanjala BN, B Fang, J Luo, Y Chen, J Yin, MH Engelhard, R Loukrakpam, and CJ Zhong. 2011. "Correlation between Atomic Coordination Structure and Enhanced Electrocatalytic Activity for Trimetallic Alloy Catalysts." Journal of the American Chemical Society 133(32):12714-12727. DOI:10.1021/ja2040464

Wellman DM, EC Golovich, CC Bovaird, JA Campbell, JR Cort, DNC Dage, and DS Sklarew. 2011. PNNL Analysis of Cellulose Degradation Products (CDP) Year-End Report. PNWD-4311, Battelle-Pacific Northwest Division, Richland, Washington.

Wigmosta MS, AM Coleman, R Skaggs, MH Huesemann, and LJ Lane. 2011. "National Microalgae Biofuel Production Potential and Resource Demand." Water Resources Research 47: Art. No. W00H04. DOI:10.1029/2010WR009966

Windisch CF, Jr, CH Henager, MH Engelhard, and WD Bennett. 2011. "Combining Raman Microprobe and XPS to Study High Temperature Oxidation of Metals." ECS Transactions 33(35):21-29. DOI:10.1149/1.3577750

Xiao J, D Mei, X Li, W Xu, D Wang, GL Graff, WD Bennett, Z Nie, LV Saraf, IA Aksay, J Liu, and J Zhang. 2011. "Hierarchically Porous Graphene as a Lithium-Air Battery Electrode." Nano Letters 11(11):5071-5078. DOI:10.1021/nl203332e

Xiao J, X Wang, XQ Yang, S Xun, G Liu, PK Koech, J Liu, and JP Lemmon. 2011. "Electrochemically Induced High Capacity Displacement Reaction of PEO/MoS₂/Graphene Nanocomposites with Lithium." Advanced Functional Materials 21(15):2840-2846. DOI:10.1002/adfm.201002752

Xiao J, N Chernova, S Upreti, X Chen, Z Li, Z Deng, D Choi, W Xu, Z Nie, GL Graff, J Liu, MS Whittingham, and J Zhang. 2011. "Electrochemical Performances of LiMnPO₄ Synthesized from Non-Stoichiometric Li/Mn Ratio." Physical Chemistry Chemical Physics 13(40):18099-18106. DOI:10.1039/C1CP22658D

Xu W, K Xu, VV Viswanathan, SA Towne, JS Hardy, J Xiao, Z Nie, D Hu, D Wang, and J Zhang. 2011. "Reaction Mechanisms for the Limited Reversibility of Li-O₂ Chemistry in Organic Carbonate Electrolytes." Journal of Power Sources 196(22):9631-9639. DOI:10.1016/j.jpowsour.2011.06.099

Yang JY, RM Bullock, M Rakowski DuBois, and DL DuBois. 2011. "Fast and Efficient Molecular Electrocatalysts for H₂ Production: Using Hydrogenase Enzymes as Guides." MRS Bulletin 36(1):39-47. DOI:10.1557/mrs.2010.8

Yang L, R Taylor, WA De Jong, and WL Hase. 2011. "A Model DMMP/TiO₂(110) Intermolecular Potential Energy Function Developed from Ab Initio Calculations." Journal of Physical Chemistry C 115(25):12403-12413. DOI: 10.1021/jp1112137

Yi XY, HC Fang, ZG Gu, ZY Zhou, YP Cai, J Tian, and PK Thallapally. 2011. "Metal-Organic Frameworks with Achiral/Monochiral Nano-channels." Crystal Growth & Design 11(7):2824-2828. DOI:10.1021/cg101618n

Yoon KJ, CA Coyle, and OA Marina. 2011. "Doped Yttrium Chromite-Ceria Composite as a Redox-Stable and Sulfur-Tolerant Anode for Solid Oxide Fuel Cells." Electrochemistry Communications 13(12):1400-1403. DOI:10.1016/j.elecom.2011.08.025

Yoon KJ, JW Stevenson, and OA Marina. 2011. "Effect of Nickel Substitution on Defect Chemistry, Electrical Properties, and Dimensional Stability of Calcium-Doped Yttrium Chromite." Solid State Ionics 193(1):60-65. DOI:10.1016/j.ssi.2011.04.008

Yoon KJ, JW Stevenson, and OA Marina. 2011. "High Performance Ceramic Interconnect Material for Solid Oxide Fuel Cells (SOFCs): Ca- and Transition Metal-doped Yttrium Chromite." Journal of Power Sources 196(20):8531-8538. DOI:10.1016/j.jpowsour.2011.06.089

Yu J, KM Rosso, J Zhang, and J Liu. 2011. "Ab Initio Study of Lithium Transition Metal Fluorophosphate Cathodes for Rechargeable Batteries." Journal of Materials Chemistry 21(32):12054-12058. DOI:10.1039/C1JM10900F

Zarzycki PP, SN Kerisit, and KM Rosso. 2011. "Computational Methods for Intramolecular Electron Transfer in a Ferrous-Ferric Iron Complex." Journal of Colloid and Interface Science 361(1):293-306. DOI:10.1016/j.jcis.2011.05.070

Zhang S, Y Shao, Y Gao, G Chen, Y Lin, and G Yin. 2011. "In Situ Ion Exchange Preparation of Pt/Carbon Nanotubes Electrode: Effect of Two-Step Oxidation of Carbon Nanotubes." Journal of Power Sources 196(23):9955-9960. DOI:10.1016/j.jpowsour.2011.08.087

Zhang S, Y Shao, H Liao, MH Engelhard, G Yin, and Y Lin. 2011. "Polyelectrolyte-Induced Reduction of Exfoliated Graphite Oxide: A Facile Route to Synthesis of Soluble Graphene Nanosheets." ACS Nano 5(3):1785-1791. DOI:10.1021/nn102467s

Zhang S, Y Shao, H Liao, J Liu, IA Aksay, G Yin, and Y Lin. 2011. "Graphene Decorated with PtAu Alloy Nanoparticles: Facile Synthesis and Promising Application for Formic Acid Oxidation." Chemistry of Materials 23(5):1079-1081.

Zhao YF, RJ Rousseau, J Li, and D Mei. 2012. "Theoretical Study of Syngas Hydrogenation to Methanol on the Polar Zn-terminated ZnO(0001) Surface." Journal of Physical Chemistry C 116(30):15952-15961. DOI:10.1021/jp211055s

Zhao Y, Y Yang, CA Mims, CHF Peden, J Li, and D Mei. 2011. "Insight into Methanol Synthesis from CO₂ Hydrogenation on Cu(111): Complex Reaction Network and the Effects of H₂O." Journal of Catalysis 281(2):199-211. DOI:10.1016/j.jcat.2011.04.012

Zhu K, J Sun, J Liu, LQ Wang, H Wan, JZ Hu, Y Wang, CHF Peden, and Z Nie. 2011. "Solvent Evaporation Assisted Preparation of Oriented Nanocrystalline Mesoporous MFI Zeolites." ACS Catalysis 1(7):682-690. DOI:10.1021/cs200085e

2010

Baer DR and MH Engelhard. 2010. "XPS Analysis of Nanostructured Materials and Biological Surfaces." Journal of Electron Spectroscopy and Related Phenomena 178-179:415-432. doi:10.1016/j.elspec.2009.09.003

Baer DR, DJ Gaspar, P Nachimuthu, SD Techane, and DG Castner. 2010. "Application of Surface Chemical Analysis Tools for Characterization of Nanoparticles." Analytical and Bioanalytical Chemistry 396(3):983-1002.

Baer DR, AS Lea, J Geller, J Hammon, L Kover, MP Seah, M Suzuki, JW Watts, and J Wolstenholme. 2010. "Approaches to Analyzing Insulators with Auger Electron Spectroscopy: Update and Overview." Journal of Electron Spectroscopy and Related Phenomena 176(1-3 SP ISS):80-94.

Baer DR, MH Engelhard, AS Lea, P Nachimuthu, T Droubay, J Kim, B Lee, C Mathews, RL Opila, LV Saraf, WF Stickle, R Wallace, and BS Wright. 2010. "Comparison of the Sputter Rates of Oxide Films Relative to the Sputter Rate of SiO₂."  Journal of Vacuum Science and Technology A—Vacuum, Surfaces and Films 28(5):1060-1072.  doi:10.1116/1.3456123

Bagus PS, CJ Nelin, ES Ilton, M Baron, H Abbott, E Primorac, H Kuhlenbeck, S Shaikhutdinov, and HJ Freund. 2010. "The Complex Core Level Spectra of CeO₂: An Analysis in Terms of Atomic and Charge Transfer Effects." Chemical Physics Letters 487(4-6):237-240. doi:10.1016/j.cplett.2010.01.041

Brooks KP, MN Devarakonda, SD Rassat, DA King, and DR Herling. 2010. "Systems Modeling of Ammonia Borane Bead Reactor for Off-Board Regenerable Hydrogen Storage in PEM Fuel Cell Applications." In: Proceedings of the ASME 2010 Eighth International Fuel Cell Science, Engineering and Technology Conference (FuelCell2010), Paper No. FuelCell2010-33272. American Society of Mechanical Engineers, New York.

Bullock RM. 2010. "Molybdenum and Tungsten Catalysts for Hydrogenation, Hydrosilylation and Hydrolysis."  Chapter 3 in: Catalysis without Precious Metals, RM Bullock, Editor, pp. 51-81.  John Wiley & Sons, Inc., Hoboken, New Jersey.

Bullock RM, TY Cheng, DJ Szalda, and JA Franz. 2010. "Structural and Computational Studies of Cp(CO)₂(PCy3)MoFBF₃, a Complex with a Bound _BF4- Ligand." Inorganica Chimica Acta 363(3):581-585. doi:10.1016/j.ica.2009.02.028

Cain JP, PL Gassman, H Wang, and A Laskin. 2010. "Micro-FTIR Study of Soot Chemical Composition - Evidence of Aliphatic Hydrocarbons on Nascent Soot Surfaces." Physical Chemistry Chemical Physics PCCP 12(20):5206-5218. doi:10.1039/b924344e

Calvin KV and AM Thomson. 2010. Impact of Heavy Duty Vehicle Emissions Reductions on Global Climate.  PNNL-19661, Pacific Northwest National Laboratory, Richland, Washington. 

Cauet E, SA Bogatko, JH Weare, JL Fulton, GK Schenter, and EJ Bylaska. 2010. "Structure and Dynamics of the Hydration Shells of the Zn²⁺ Ion from Ab Initio Molecular Dynamics and Combined Ab Initio and Classical Molecular Dynamics Simulations." Journal of Chemical Physics 132(19): Art. No. 194502.

Chambers SA. 2010. "Epitaxial Growth and Properties of Doped Transition Metal and Complex Oxide Films." Advanced Materials 22(2):219-248. doi:10.1002/adma.200901867

Chang CL, S Sankaranarayanan, D Ruzmetov, E Kaxiras, MH Engelhard, and S Ramanathan. 2010. "Compositional Tuning of Ultrathin Surface Oxides on Metal and Alloy Substrates Using Photons: Dynamic Simulations and Experiments." Physical Review B, Condensed Matter 81(8):085406-1-085406-13. doi:10.1103/PhysRevB.81.085406

Chang TM, LX Dang, R Devanathan, and M Dupuis. 2010. "Structure and Dynamics of N, N-diethyl-N-methylammonium Triflate Ionic Liquid, Neat and with Water, from Molecular Dynamics Simulations." Journal of Physical Chemistry A 114(48):12764-12774. doi:10.1021/jp108189z

Chellappa RS, M Somayazulu, VV Struzhkin, RJ Hemley, and T Autrey. 2010. "High-Pressure Hydrogen Interactions with Polyaminoborane and Polyiminoborane." Chemphyschem (11):93-96. doi:10.1002/cphc.200900829

Chen S, S Raugei, RJ Rousseau, M Dupuis, and RM Bullock. 2010. "Homogeneous Ni catalysts for H₂ Oxidation and Production: An Assessment of Theoretical Methods, from Density Functional Theory to Post Hartree-Fock Correlated Wave-Function Theory." Journal of Physical Chemistry A 114(48):12716-12724. doi:10.1021/jp106800n

Choi D, D Wang, IT Bae, J Xiao, Z Nie, W Wang, VV Viswanathan, YJ Lee, J Zhang, GL Graff, Z Yang, and J Liu. 2010. "LiMnPO₄ Nanoplate Grown via Solid-State Reaction in Molten Hydrocarbon for Li-ion Battery Cathode."  Nano Letters 10(8):2799-2805.  doi:10.1021/nl1007085

Chua YS, G Wu, Z Xiong, AJ Karkamkar, J Guo, M Jian, MW Wong, T Autrey, and P Chen. 2010. "Synthesis, Structure and Dehydrogenation of Magnesium Amidoborane Monoammoniate."  Chemical Communications 46(31):5752-5754. 

Daschbach JL, X Sun, PK Thallapally, BP McGrail, and LX Dang. 2010. "Grand Canonical Monte Carlo Studies of CO₂ and CH₄ Adsorption in p-tert-butylcalix[4]arene." Journal of Physical Chemistry B 114(17):5764-5768.

Deskins NA, RJ Rousseau, and M Dupuis. 2010. "Defining the Role of Excess Electrons in the Surface Chemistry of TiO₂." Journal of Physical Chemistry C 114(13):5891-5897. doi:10.1021/jp101155t

Devanathan R.  2010.  "Proton Exchange Membranes for Fuel Cells."  In: Energy Production and Storage - Inorganic Chemical Strategies for a Warming World, RH Crabtree, Editor, pp. 89-100.  John Wiley & Sons, Inc., Hoboken, New Jersey.

Devanathan R, A Venkatnathan, RJ Rousseau, M Dupuis, T Frigato, W Gu, and VH Helms. 2010. "Atomistic Simulation of Water Percolation and Proton Hopping in Nafion Fuel Cell Membrane."  Journal of Physical Chemistry B 114(43):13681-13690.  doi:10.1021/jp103398b

Devarakonda MN, RG Tonkyn, and DR Herling. 2010. "Hydrocarbon Effect on a Fe-zeolite Urea-SCR Catalyst: An Experimental and Modeling Study." In: Diesel Exhaust Emission Control, SP-2287: SAE 2010 World Congress & Exhibition, Detroit, Michigan, Paper No.: 2010-01-1171. SAE International, Warrendale, Pennsylvania. doi:10.4271/2010-01-1171

Devarakonda MN, JD Holladay, KP Brooks, SD Rassat, and DR Herling.  2010.  "Dynamic Modeling and Simulation Based Analysis of an Ammonia Borane (AB) Reactor System for Hydrogen Storage."  ECS Transactions 33(1):1959-1972.  doi:10.1149/1.3484687

Devarakonda MN, RG Tonkyn, DN Tran, JH Lee, and DR Herling.  2010.  "Modeling Competitive Adsorption in Urea SCR Catalysts for Effective Low Temperature NOx Control."  In: Proceedings of ASME 2010 International Mechanical Engineering Congress and Exposition (IMECE 2010), Vol. IMECE 2010-39977, pp. 1-7.  American Society of Mechanical Engineers International Mechanical Engineering Congress and Exposition, Chicago, Illinois. 

Devarakonda MN, RG Tonkyn, DN Tran, JH Lee, and DR Herling.  2010.  "Modeling Species Inhibition of NO oxidation in Urea-SCR Catalysts for Diesel Engine NOx Control."  In: Proceedings of the ASME 2010 Internal Combustion Engine Division Fall Technical Conference, Paper No. ICEF2010-35054.  American Society of Mechanical Engineers, New York.

Du Y, NA Deskins, Z Zhang, Z Dohnalek, M Dupuis, and I Lyubinetsky. 2010. "Formation of O Adatom Pairs and Charge Transfer upon O₂ Dissociation on Reduced TiO₂(110)." Physical Chemistry Chemical Physics PCCP 12(24):6337-6344.

• See Research Highlight

Du Y, NA Deskins, Z Zhang, Z Dohnalek, M Dupuis, and I Lyubinetsky. 2010. "Water Interactions with Terminal Hydroxyls on TiO₂ (110)."  Journal of Physical Chemistry C 114(40):17080-17084.  doi:10.1021/jp1036876

Ellis PD, JA Sears, P Yang, M Dupuis, T Boron, V Pecoraro, T Stich, RD Britt, and AS Lipton. 2010. "Solid-State 55Mn NMR Spectroscopy of bis(µ-oxo)dimanganese(IV) [Mn₂O₂(salpn)₂], a Model for the Oxygen Evolving Complex in Photosystem II." Journal of the American Chemical Society 132(47):16727-16729. doi:10.1021/ja1054252

Fagan PJ, MH Voges, and RM Bullock. 2010. "Catalytic Ionic Hydrogenation of Ketones by {[Cp*Ru(CO)₂]₂( μH)}+." Organometallics 29(4):1045-1048. doi:10.1021/om901005k

Fernandez CA, PK Thallapally, J Liu, and CHF Peden. 2010. "Effect of Produced HCl during the Catalysis on Micro- and Mesoporous MOFs."  Crystal Growth & Design 10(9):4118-4122.  doi:10.1021/cg100796e

Fernandez CA, PK Thallapally, RK Motkuri, SK Nune, J Tian, and J Liu. 2010. "Gas-Induced Expansion and Contraction of a Fluorinated Metal-Organic Framework." Crystal Growth & Design 10(3):1037-1039.

Fernandez CA, SK Nune, RK Motkuri, PK Thallapally, CM Wang, J Liu, GJ Exarhos, and BP McGrail. 2010. "Synthesis, Characterization, and Application of Metal Organic Framework Nanostructures." Langmuir 26(24):18591-18594. doi:10.1021/la103590t

Fifield LS and JW Grate. 2010. "Hydrogen-Bond Acidic Functionalized Carbon Nanotubes (CNTs) with Covalently-Bound Hexafluoroisopropanol Groups." Carbon 48(7):2085-2088. doi:10.1016/j.carbon.2010.02.019

Finsterbusch M, A Lussier, E Negusse, Z Zhu, RJ Smith, JA Schaefer, and YU Idzerda. 2010. "Effect of Cr₂O₃ on the ¹⁸O Tracer Incorporation in SOFC Materials." Solid State Ionics 181(13-14):640-645. doi:10.1016/j.ssi.2010.03.007

Gaspar DJ.  2010.  "Secondary Ion Mass Spectrometry of Environmental Aerosols."  In: Encyclopedia of Mass Spectrometry, Elsevier, Oxford, United Kingdom.

Gerber MA, MJ Gray, JF White, BL Thompson, and DJ Stevens. 2010. Optimization of Rhodium-Based Catalysts for Mixed Alcohol Synthesis—2009 Progress Report. PNNL-20115, Pacific Northwest National Laboratory, Richland, Washington.

Hardy JS, JW Templeton, Z Lu, and JW Stevenson. 2010. Development of SOFC Cathodes.  PNNL-19641, Pacific Northwest National Laboratory, Richland, Washington. 

Henderson MA. 2010. "Oxygen Plasma Activation of Cr(CO)(6) on α-Fe₂O₃(0001)."  Surface Science 604(17-18):1502-1508.

Henderson MA. 2010. "Photochemistry of Methyl Bromide on the α-Cr₂O₃(0001) Surface."  Surface Science 604(19-20):1800-1807.

Henderson MA, V Shutthanandan, T Ohsawa, and SA Chambers. 2010. "Structural Environment of Nitrogen in N-Doped Rutile TiO₂(110)." Chapter 777007 in Solar Hydrogen and Nanotechnology V, Proceedings of SPIE, Vol. 7770, H Idress and H Wang, Editors. SPIE, Bellingham, Washington. doi:10.1117/12.862297

Henderson MA, CHF Peden, JA Rodriguez, J Szanyi, JT Yates, JR, and F Zaera. 2010. "Preface to the Festschrift in Honor of Professor D. Wayne Goodman."  Journal of Physical Chemistry C 114(40):16861-16862.  doi:10.1021/jp105968e

Holladay JD, CL Aardahl, T Autrey, DM Camaioni, DL DuBois, JC Linehan, AJ Karkamkar, SD Rassat, F Zheng, WJ Shaw, J Li, DJ Heldebrant, RG Potter, MT Mock, AT Luedtke, and TD Smurthwaite. 2010. Chemical Hydrogen Storage Research at PNNL. PNNL-19599, Pacific Northwest National Laboratory, Richland, Washington.  [Unpublished] 

Jaisi DP, RE Blake, and RK Kukkadapu. 2010. "Fractionation of Oxygen Isotopes in Phosphate during Its Interactions with Iron Oxides." Geochimica et Cosmochimica Acta 74(4):1309-1319. doi:10.1016/j.gca.2009.11.010

Johnson CA, TC Kaspar, SA Chambers, GM Salley, and DR Gamelin. 2010. "Sub-band-gap Photoconductivity in Co²⁺-doped ZnO." Physical Review B, Condensed Matter 81(12): Art No. 125206. doi:10.1103/PhysRevB.81.125206

Johnson GE, M Lysonski, and J Laskin. 2010. "In Situ Reactivity and TOF SIMS Analysis of Surfaces Prepared by Soft and Reactive Landing of Mass Selected Ions." Analytical Chemistry 82(13):5718-5727. DOI:10.1021/ac100734g.

• See Research Highlight

Johnson GE and J Laskin. 2010. "Preparation of Surface Organometallic Catalysts by Gas-Phase Ligand Stripping and Reactive Landing of Mass-Selected Ions." Chemistry - A European Journal 16(48):14433-14438. doi:10.1002/chem.201002292

Kaspar TC, T Droubay, SA Chambers, and P Bagus. 2010. "Spectroscopic Evidence for Ag(III) in Highly Oxidized Silver Films by X-Ray Photoelectron Spectroscopy." Journal of Physical Chemistry C 114(49):21562-21571. doi:10.1021/jp107914e

• See Research Highlight

Kaspar TC, SA Chambers, F Wilhelm, A Rogalev, A Ney, V Ney, S Ye, K Ollefs, and T Kammermeier. 2010. "Anisotropic Paramagnetism of Co-Doped ZnO Epitaxial Films." Physical Review B, Condensed Matter 81(5):054420. doi:10.1103/PhysRevB.81.054420

Khaleel MA. 2010. Scientific Grand Challenges - Discovery in Basic Energy Sciences: The Role of Computing at the Extreme Scale. PNNL-19902, Pacific Northwest National Laboratory, Richland, Washington.

Kim J, BD Kay, and Z Dohnalek. 2010. "Formaldehyde Polymerization on (WO₃)₃/TiO₂(110) Model Catalyst."  Journal of Physical Chemistry C 114(40):17017-17022. 

Kim HJ, AJ Karkamkar, T Autrey, P Chupas, and TE Proffen. 2010. Storing Hydrogen. PNNL-19252, Pacific Northwest National Laboratory, Richland, Washington.

Kwak JH, RG Tonkyn, DH Kim, CHF Peden, and J Szanyi. 2010. "Excellent Activity and Selectivity of Cu-SSZ-13 in the Selective Catalytic Reduction of NOx with NH₃."  Journal of Catalysis 275(2):187-190.  doi:10.1016/j.jcat.2010.07.031

Kwak JH, JZ Hu, DW Hoyt, JA Sears, Jr, CM Wang, KM Rosso, and AR Felmy. 2010. "Metal Carbonation of Forsterite in Supercritical CO₂ and H₂O Using Solid State ²⁹Si, ¹³C NMR Spectroscopy." Journal of Physical Chemistry C 114(9):4126-4134. doi:10.1021/jp1001308

Laskin A. 2010. "Electron Beam Analysis and Microscopy of Individual Particles." In Fundamentals and Applications in Aerosol Spectroscopy, R Signorell and JP Reid, Editors, pp. 463-491. CRC Press, Boca Raton, Florida.

Lebarbier VMC, RA Dagle, AK Datye, and Y Wang. 2010. "The Effect of PdZn Particle Size on Reverse-water-gas-shift Reaction." Applied Catalysis A, General 379(1-2):3-6.

Li G, D Hu, G Xia, and ZC Zhang. 2010. "Catalyst Structure-Performance Relationship Identified by High-Throughput Operando Method: New Insight for Silica-Supported Vanadium Oxide for Methanol Oxidation." Topics in Catalysis " 53(1-2):40-48.

Li G, DM Camaioni, JE Amonette, ZC Zhang, TJ Johnson, and JL Fulton. 2010. "[CuCln](2-n) Ion-Pair Species in 1-Ethyl-3-Methylimidazolium Chloride Ionic Liquid-Water Mixtures: Ultraviolet-Visible, X-ray Absorption Fine Structure, and Density Functional Theory Characterization."  Journal of Physical Chemistry B 114(39):12614-12622.  doi:10.1021/jp106762b  

Li J, SM Kathmann, HS Hu, GK Schenter, T Autrey, and MS Gutowski. 2010. "Theoretical Investigations on the Formation and Dehydrogenation Reaction Pathways of H(NH₂BH₂)_nH (n = 1-4) Oligomers: Importance of Dihydrogen Interactions (DHI)."  Inorganic Chemistry 49(17):7710-7720.

Li S, HJ Zhai, LS Wang, and DA Dixon. 2010. "Structural and Electronic Properties of Reduced Transition Metal Oxide Clusters, M₃O₈ and M₃O₈^- (M = Cr, W), from Photoelectron Spectroscopy and Quantum Chemical Calculations." Journal of Physical Chemistry A 113(42):11273-11288. doi:10.1021/jp105968e

Lilga MA, RT Hallen, and MJ Gray. 2010. "Production of Oxidized Derivatives of 5-Hydroxymethylfurfural (HMF)."  Topics in Catalysis 53(15-18):1264-1269.

Lin SSY, DH Kim, MH Engelhard, and SY Ha. 2010. "Water-induced Formation of Cobalt Oxides Over Supported Cobalt/Ceria-Zirconia Catalysts under Ethanol-Steam Conditions."  Journal of Catalysis 273(2):229-235.  doi:10.1016/j.jcat.2010.05.016

Lin TZ, C Tan, B Liu, JT Darsell, and KS Weil. 2010. "A High-temperature Sealing Technology for Solid Oxide Fuel Cells." In: TMS 2009 138th Annual Meeting & Exhibition Supplemental Proceedings: Volume 2: Materials Characterization, Computation and Modeling: Manufacturing Issues in Fuel Cells, The Minerals, Metals & Materials Society, San Francisco, California.

Lu J, YJ Choi, ZZ Fang, HY Sohn, and E Ronnebro. 2010. "Hydrogen Storage Properties of Nanosized MgH₂-0.1TiH₂ Prepared by Ultrahigh-Energy-High-Pressure Milling." Journal of Physical Chemistry C 131(43):15843-15852. doi:10.1021/ja906340u

Lu J, YJ Choi, ZZ Fang, HY Sohn, and E Ronnebro. 2010. "Hydrogenation of Nanocrystalline Mg at Room Temperature in the Presence of TiH₂." Journal of the American Chemical Society 132(19):6616-6617.

Lu Z, XD Zhou, JW Templeton, and JW Stevenson. 2010. "Electrochemical Performance and Stability of the Cathode for Solid Oxide Fuel Cells IV. On the Ohmic Loss In Anode-Supported Button Cells with LSM or LSCF Cathodes." Journal of the Electrochemical Society 157(6):b964-b969.

Lu Z, XD Zhou, JW Templeton, JW Stevenson, D Fisher, N Wu, and A Ignatiev. 2010. "Enhanced Performance of an Anode-Supported YSZ Thin Electrolyte Fuel Cell with a Laser-Deposited Sm_0.2Ce_0.8O_1.9 Interlayer." Electrochemistry Communications 12(2):179-182.

Luedtke AT and T Autrey. 2010. "Hydrogen Release Studies of Alkali Metal Amidoboranes." Inorganic Chemistry 49(8):3905-3910.

Lyubinetsky I, Y Du, NA Deskins, Z Zhang, Z Dohnalek, and M Dupuis.  2010.  "Two Pathways for Water Interaction with Oxygen Adatoms on TiO₂(110) Surfaces."  In: International Symposium on Atomic Level Characterizations for New Materials and Devices.  Japan Society for the Promotion of Science, Tokyo, Japan. 

Lyubinetsky I, NA Deskins, Y Du, EK Vestergaard, DJ Kim, and M Dupuis. 2010. "Adsorption States and Mobility of TMAA Molecules on Reduced TiO₂(110) Surface." Physical Chemistry Chemical Physics PCCP 12(23):5986-5992.

Lyubinetsky I, Y Du, NA Deskins, Z Zhang, Z Dohnalek, and M Dupuis. 2010. "Two Pathways for Water Interaction with Oxygen Adatoms on TiO₂(110) Surfaces."  In: International Symposium on Atomic Level Characterizations for New Materials and Devices.  Japan Society for the Promotion of Science, Tokyo, Japan. 

Marina OA, LR Pederson, EC Thomsen, CA Coyle, and KJ Yoon. 2010. "Reversible Poisoning of the Nickel/Zirconia Solid Oxide Fuel Cell Anodes by Hydrogen Chloride in Coal Gas."  Journal of Power Sources 195(20 SP ISS):7033-7037. 

Marina OA, LR Pederson, EC Thomsen, DJ Edwards, CA Coyle, and CN Cramer. 2010. "SOFC Ohmic Resistance Reduction by HCl-Induced Removal of Manganese at the Anode/Electrolyte Interface." Electrochemical and Solid-State Letters 13(6):B63-B67. doi:10.1149/1.3380668

Marina OA, CA Coyle, EC Thomsen, CN Cramer, GW Coffey, DJ Edwards, and LR Pederson. 2010. "Degradation Mechanisms of SOFC Anodes in Coal Gas Containing Phosphorus." Solid State Ionics 181(8-10):430-440.

Mei D. 2010. "Density Functional Theory Study of Surface Carbonate Formation on BaO(001)." Journal of Physical Chemistry C 114(4):1867-1874. doi:10.1021/jp907765e

Mei D, J Du, and M Neurock. 2010. "First-Principles-Based Kinetic Monte Carlo Simulation of Nitric Oxide Reduction over Platinum Nanoparticles under Lean-burn Conditions."  Industrial and Engineering Chemistry Research 49(21):10364-10373.  doi:10.1021/ie100999e

Mei D, JH Kwak, J Szanyi, Q Ge, and CHF Peden. 2010. "Catalyst Size and Morphology Effects on the Interaction of NO₂ with BaO/γ-Al₂O₃ Materials." Catalysis Today 151(3-4):304-313. doi:10.1016/j.cattod.2010.01.005

Mei D, JH Kwak, JZ Hu, SJ Cho, J Szanyi, L Allard, and CHF Peden. 2010. "The Unique Role of Anchoring Penta-coordinated Al³⁺ Sites in the Sintering of γ Al₂O₃-supported Pt Catalysts."  The Journal of Physical Chemistry Letters 1(18):2688-2691.  doi:10.1021/jz101073p

Mei D, RJ Rousseau, SM Kathmann, VA Glezakou, MH Engelhard, W Jiang, CM Wang, MA Gerber, JF White, and DJ Stevens. 2010. "Ethanol Synthesis from Syngas over Rh-based/SiO₂ Catalysts: A Combined Experimental and Theoretical Modeling Study." Journal of Catalysis 271(2):325-342.

Miara LJ, LFJ Piper, JN Davis, LV Saraf, TC Kaspar, S Basu, KE Smith, UB Pal, and S Gopalan. 2010. "Surface Segregation Studies of SOFC Cathodes: Combining Soft X-Rays and Electrochemical Impedence Spectroscopy." In: Materials Research Society (MRS) Symposium Proceedings: Catalytic Materials for Energy, Green Processes and Nanotechnology, Boston, Massachusetts, November 30 - December 3, 2009, Vol. 1217, CY Mou, S Dai, HH Kung and J Liu, Editors, pp. 145-150. Materials Research Society, Warrendale, Pennsylvania.

Motkuri RK, J Tian, PK Thallapally, CA Fernandez, SJ Dalgarno, JE Warren, BP McGrail, and JL Atwood. 2010. "Flexible Metal-Organic Supramolecular Isomers for Gas Separation." Chemical Communications 46(4):538-540. doi:10.1039/b913910a

Mott D, J Yin, MH Engelhard, R Loukrakpam, P Chang, G Miller, IT Bae, NC Das, CM Wang, J Luo, and CJ Zhong. 2010. "From Ultrafine Thiolate-Capped Copper Nanoclusters toward Copper Sulfide Nanodiscs: A Thermally Activated Evolution Route." Chemistry of Materials 22(1):261-271. doi:10.1021/cm903038w

Mudiyanselage K, CW Yi, and J Szanyi. 2010. "Reactions of NO₂ with Ba(OH)₂ on Pt(111)."  Journal of Physical Chemistry C 114(40):16955-16963.

Mudiyanselage K, D Mei, CW Yi, JF Weaver, and J Szanyi. 2010. "Formation, Characterization and Reactivity of Adsorbed Oxygen on BaO/Pt(111)." Journal of Physical Chemistry C 114(47):20195-20206.

Murdachaew G, CJ Mundy, and GK Schenter. 2010. "Improving the Density Functional Theory Description of Water with Self-Consistent Polarization." Journal of Chemical Physics 132(1): Art. No. 164102. doi:10.1063/1.3385797

Neiner D, AT Luedtke, AJ Karkamkar, WJ Shaw, J Wang, N Browning, T Autrey, and SM Kauzlarich. 2010. "Decomposition Pathway of Ammonia Borane on the Surface of Nano-BN."  Journal of Physical Chemistry C 114(32):13935-13941.

Ney A, V Ney, S Ye, TC Kaspar, K Ollefs, T Kammermeier, MH Engelhard, SM Heald, F Wilhelm, and A Rogalev. 2010. "Advanced Spectroscopic Synchrotron Techniques to Unravel the Intrinsic Properties of Dilute Magnetic Oxides: The Case of Co:ZnO." New Journal of Physics 12:1-16.

Nowakowski DJ, AV Bridgwater, DC Elliott, D Meier, and P de Wild. 2010. "Lignin Fast Pyrolysis: Results from an International Collaboration." Journal of Analytical and Applied Pyrolysis 88(1):53-72.

Nune SK, PK Thallapally, and BP McGrail. 2010. "Metal Organic Gels (MOGs): A New Class of Sorbents for CO₂ Separation Applications."  Journal of Materials Chemistry 20(36):7623-7625.  doi:10.1039/c0jm01907k

Nune SK, PK Thallapally, A Dohnalkova, CM Wang, J Liu, and GJ Exarhos. 2010. "Synthesis and Properties of Nano Zeolitic Imidazolate Frameworks."  Chemical Communications 46(27):4878-4880.

Oasmaa A, DC Elliott, and J Korhonen. 2010. "Acidity of Biomass Fast Pyrolysis Bio-Oils." Energy and Fuels 24(12):6548-6554. doi:10.1021/ef100935r

Ohsawa T, MA Henderson, and SA Chambers. 2010. "Epitaxial Growth and Orientational Dependence of Surface Photochemistry in CrystallineTiO₂ Rutile Films Doped with Nitrogen." Journal of Physical Chemistry C 114(14):6595-6601. doi:10.1021/jp1002726

Palo DR. 2010. Quarterly Report (April-June, 2010) Microchannel Assisted Nanomaterial Production for Photovoltaic Applications.  PNNL-19609, Pacific Northwest National Laboratory, Richland, Washington. 

Palumbo O, A Paolone, P Rispoli, R Cantelli, and T Autrey. 2010. "Decomposition of NH₃BH₃ at Sub-Ambient Pressures: A Combined Thermogravimetry-Differential Thermal Analysis-Mass Spectrometry Study." Journal of Power Sources 195(6):1615-1618.

Paolone A, O Palumbo, P Rispoli, R Cantelli, and T Autrey. 2010. "An Investigation of the Structural Phase Transition of Ammonia Borane."  Materials Science and Engineering A, Structural Materials: Properties, Microstructure and Processing 521-522:169-171. doi:10.1016/j.msea.2008.09.145

Parkinson GS, Z Dohnalek, RS Smith, and BD Kay. 2010. "Reactivity of Fe0 Atoms with Mixed CCI₄ and D₂O films over FeO (111)."  Journal of Physical Chemistry C 114(40):17136-17141. doi:10.1021/jp103896k

Petrik NG and GA Kimmel. 2010. "Off-normal CO₂ Desorption from the Photooxidation of CO on Reduced TiO₂(110)."  The Journal of Physical Chemistry Letters 1(17):2508-2513. doi:10.1021/jz100884w

Petrik NG and GA Kimmel. 2010. "Photo-Induced Dissociation of O₂ on Rutile TiO₂(110)." The Journal of Physical Chemistry Letters 1(12):1758-1762. doi:10.1021/jz100513e

Piper LFJ, ARH Preston, SW Cho, A DeMasi, B Chen, J Laverock, KE Smith, LJ Miara, JN Davis, S Basu, UB Pal, S Gopalan, LV Saraf, TC Kaspar, AY Matsuura, PA Glans, and J Guo. 2010. "Soft X-Ray Spectroscopic Study of Dense Strontium-Doped Lanthanum Manganite Cathodes for Solid Oxide Fuel Cell Applications." Journal of the Electrochemical Society 158(2):B99-B105. doi:10.1149/1.3519075

Rakowski DuBois M and DL DuBois. 2010. "A Modular Approach to the Development of Molecular Electrocatalysts for H₂ Oxidation and Production Based on Inexpensive Metals."  Chapter 7 in: Catalysis without Precious Metals, RM Bullock, Editor, pp. 165-180.  John Wiley & Sons, Inc., Hoboken, New Jersey. 

Rassat SD, CL Aardahl, T Autrey, and RS Smith. 2010. "Thermal Stability of Ammonia Borane: A Case Study for Exothermic Hydrogen Storage Materials." Energy and Fuels 24(4):2596-2606. doi:10.1021/ef901430a

Reid DJ, JE Cabe, and MD Bearden. 2010. PNNL Coal Gasification Research. PNNL-19606, Pacific Northwest National Laboratory, Richland, Washington. 

Ronnebro E. 2010. "High-Pressure Techniques for Discovering and Re-hydrogenation of Metal Hydride Materials."  The Journal of Physics and Chemistry of Solids 71(8):1154-1158.  doi:10.1016/j.jpcs.2010.03.025

Rosso KM, S Yanina, CA Gorski, P Larese-Casanova, and M Scherer. 2010. "Connecting Observations of Hematite (alpha-Fe₂O₃) Growth Catalyzed by Fe(II)." Environmental Science & Technology 44(1):61-67.

Saraf LV. 2010. "Site-specific Pt Deposition and Etching on Electrically and Thermally Isolated SiO₂ Micro-disk Surfaces." Journal of Micromechanics and Microengineering: Structures, Devices & Systems 20(4): Art. No. 45031. doi:10.1088/0960-1317/20/4/045031

Saraf LV, P Nachimuthu, MH Engelhard, and DR Baer. 2010. "Stabilization of ZnMnO₃ Phase from Sol-gel Synthesized Nitrate Precursors ." Journal of Sol-Gel Science and Technology 53(2):141-147. doi:10.1007/s10971-009-2067-2

Saraf LV, DR Baer, AS Lea, Z Zhu, JJ Strohm, SD Sitzman, and DL King. 2010. "Bulk Migration of Ni/NiO in Ni-YSZ during Reducing Conditions." Journal of the Electrochemical Society 157(4):B463-B469. doi:10.1149/1.3298442

Shao Y, S Zhang, CM Wang, Z Nie, J Liu, Y Wang, and Y Lin. 2010. "Highly Durable Graphene Nanoplatelets Supported Pt Nanocatalysts for Oxygen Reduction." Journal of Power Sources 195(15):4600-4605.

Shao Y, S Zhang, R Kou, X Wang, CM Wang, S Dai, VV Viswanathan, J Liu, Y Wang, and Y Lin. 2010. "Noncovalently Functionalized Graphitic Mesoporous Carbon as a Stable Support of Pt Nanoparticles for Oxygen Reduction." Journal of Power Sources 195(7 SP ISS):1805-1811.

Shao Y, J Wang, MH Engelhard, CM Wang, and Y Lin. 2010. "Facile and Controllable Electrochemical Reduction of Graphene Oxide and Its Applications." Journal of Materials Chemistry 20(4):743-748.

Shaw LL, X Wan, JZ Hu, JH Kwak, and Z Yang. 2010. "Solid-State Hydriding Mechanism in the LiBH₄ + MgH₂ System." Journal of Physical Chemistry C 114(17):8089-8098. doi:10.1021/jp1003837

• See Research Highlight.

Shin Y, A Dohnalkova, and Y Lin. 2010. "Preparation of Homogeneous Gold-Silver Alloy Nanoparticles Using the Apoferritin Cavity as a Nanoreactor." Journal of Physical Chemistry C 114(13):5985-5989. doi:10.1021/jp911004a

Shrivastava MKB, A Nguyen, Z Zheng, HW Wu, and HJ Jung. 2010. "Kinetics of Soot Oxidation by NO₂." Environmental Science & Technology 44(12):4796-4801. doi:10.1021/es903672y

Skomurski FN, SN Kerisit, and KM Rosso. 2010. "Structure, Charge Distribution, and Electron Hopping Dynamics in Magnetite (Fe₃O₄) (100) Surfaces from First Principles."  Geochimica et Cosmochimica Acta 74(15):4234-4248.

Stewart ML, TR Gallant, DH Kim, GD Maupin, and A Zelenyuk. 2010."Fuel Efficient Diesel Particulate Filter (DPF) Modeling and Development." PNNL-19476, Pacific Northwest National Laboratory, Richland, Washington. 

Sushko ML and J Liu. 2010. "Structural Rearrangements in Self-Assembled Surfactant Layers at Surfaces." Journal of Physical Chemistry B 114(11):3847-3854. doi:10.1021/jp910927b

Sushko ML, KM Rosso, and J Liu. 2010. "Size Effects on Li+/Electron Conductivity in TiO₂ Nanoparticles." The Journal of Physical Chemistry Letters 1:1967-1972. doi:10.1021/jz100520c

Sushko ML, KM Rosso, and J Liu. 2010. "Mechanism of Li+/Electron Conductivity in Rutile and Anatase TiO₂ Nanoparticles."  Journal of Physical Chemistry C 114(47):20277-20283.  doi:10.1021.jp107982c

Thallapally PK, CA Fernandez, RK Motkuri, SK Nune, J Liu, and CHF Peden. 2010. "Micro and Mesoporous Metal Organic Frameworks for Catalysis Applications." Dalton Transactions 39(7):1692-1694. doi:10.1039/b921118g

• See Research Highlight.

Tian J, RK Motkuri, and PK Thallapally. 2010. "Generation of 2D and 3D (PtS, Adamantanoid) Nets with a Flexible Tetrahedral Building Block." Crystal Growth & Design 10(9):3843-3846.  doi:10.1021/cg1005677

Valiev M, EJ Bylaska, N Govind, K Kowalski, TP Straatsma, HJJ van Dam, D Wang, J Nieplocha, E Apra, TL Windus, and WA De Jong. 2010. "NWChem: a Comprehensive and Scalable Open-Source Solution for Large Scale Molecular Simulations." Computer Physics Communications 181(9):1477-1489.  doi:10.1016/j.cpc.2010.04.018

Viswanathan VV, D Choi, D Wang, W Xu, SA Towne, RE Williford, J Zhang, J Liu, and Z Yang. 2010. "Effect of Entropy of Lithium Intercalation in Cathodes and Anodes on Li-ion Battery Thermal Management." Journal of Power Sources 195(11):3720-3729. doi:10.1016/j.jpowsour.2009.11.103

Wang CM, W Xu, J Liu, D Choi, BW Arey, LV Saraf, J Zhang, Z Yang, S Thevuthasan, DR Baer, and N Salmon. 2010. "In-situ Transmission Electron Microscopy and Spectroscopy Studies of Interfaces in Li-ion Batteries: Challenges and Opportunities."  Journal of Materials Research 25(8):1541-1547.  doi:10.1557/JMR.2010.0198

Wang Y, Y Shao, DW Matson, J Li, and Y Lin. 2010. "Nitrogen-Doped Graphene and Its Application in Electrochemical Biosensing." ACS Nano 4(4):1790-1798.

Wang YL, HJ Zhai, L Xu, J Li, and LS Wang. 2010. "Vibrationally Resolved Photoelectron Spectroscopy of Di-Gold Carbonyl Clusters Au₂(CO)_n-(n=1-3): Experiment and Theory." Journal of Physical Chemistry A 114(3):1247-1254. doi:10.1021/jp903558v

Wang Z, Y Du, Z Dohnalek, and I Lyubinetsky. 2010. "Direct Observation of Site Specific Molecular Chemisorption of O2 on TiO₂(110)." The Journal of Physical Chemistry Letters 1(24):3524-3529. doi:10.1021/jz101535f

Wanjala BN, J Luo, R Loukrakpam, B Fang, D Mott, P Njoki, MH Engelhard, HR Naslund, JK Wu, L Wang, L Malis, and CJ Zhong. 2010. "Nanoscale Alloying, Phase-Segregation, and Core-Shell Evolution of Gold-Platinum Nanoparticles and Their Electrocatalytic Effect on Oxygen Reduction Reaction." Chemistry of Materials 22(14):4282-4294.

Warren JJ, TA Tronic, and JM Mayer. 2010. "Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications." Chemical Reviews 110, 6961-7001. DOI:10.1021/cr100085k

Welch KD, WG Dougherty, WS Kassel, DL DuBois, and RM Bullock. 2010. "Synthesis, Structures, and Reactions of Manganese Complexes Containing Diphosphine Ligands with Pendant Amines." Organometallics 29(20):4532-4540.  doi:10/1021/0m100668e

Wiedner ES, JY Yang, WG Dougherty, WS Kassel, RM Bullock, M Rakowski DuBois, and DL DuBois. 2010. "Comparison of Cobalt and Nickel Complexes with Sterically Demanding Cyclic Diphosphine Ligands: Electrocatalytic H₂ Production by [Co(P^tBu₂N^Ph₂)(CH₃CN)₃](BF₄)₂."  Organometallics 29(21):5390-5401.  doi:10.1021/om100395r

Windisch CF, Jr, PK Thallapally, and BP McGrail. 2010. "Competitive Adsorption Study of CO₂ and SO₂ on CoII₃[CoIII(CN)₆]₂ Using DRIFTS."  Spectrochimica Acta, Part A, Molecular and Biomolecular Spectroscopy 77(1):287-291. doi:10.1016/j.saa.2010.05.024

Xia G, JP Choi, JD Templeton, XS Li, Z Nie, T Oh, and JW Stevenson. 2010. Development of SOFC Interconnects and Coatings.  PNNL-19642, Pacific Northwest National Laboratory, Richland, Washington.

Xia G, Z Lu, JD Templeton, XS Li, Z Nie, T Oh, and JW Stevenson. 2010. Development of Cathode Contact Materials for SOFC.  PNNL-19639, Pacific Northwest National Laboratory, Richland, Washington.

Xiang X, M Chen, Y Ju, XT Zu, LM Wang, and Y Zhang. 2010. "N-TiO₂ Nanoparticles Embedded in Silica Prepared by Ti Ion Implantation and Annealing in Nitrogen." Nuclear Instruments and Methods in Physics Research, Section B, Beam Interactions with Materials and Atoms 268(9):1440-1445.

Xiao J, D Wang, W Xu, D Wang, RE Williford, J Liu, and J Zhang. 2010. "Optimization of Air Electrode for Li/Air Batteries." Journal of the Electrochemical Society 157(4):A487-A492. doi:10.1149/1.3314375

Xiong G, R Shao, SJ Peppernick, AG Joly, KM Beck, WP Hess, M Cai, J Duchene, JY Wang, and W Wei. 2010. "Materials Applications of Photoelectron Emission Microscopy." JOM. The Journal of the Minerals, Metals and Materials Society 62(12):90-93. doi:10.1007/s11837-010-0189-1

Xiong Z, YS Chua, G Wu, MW Wong, L Wang, T Kemmitt, P Chen, and T Autrey. 2010. "Interaction of Ammonia Borane with Li₂NH and Li₃N." Dalton Transactions 39(3):720-722.

Xu W, J Xiao, D Wang, J Zhang, and J Zhang. 2010. "Effects of Nonaqueous Electrolytes on Primary Li-Air Batteries." In: Proceedings of the 44th Power Sources Conference, pp. 43-46. U.S. Army Research, Las Vegas, Nevada.

Xu W, NL Canfield, Z Nie, D Wang, J Xiao, and J Zhang. 2010. "A Three-Dimensional Macroporous Cu/SnO₂ Composite Anode Sheets Prepared Via A Novel Method." Journal of Power Sources 195(21):7403-7408. doi:10.1016/j.jpowsour.2010.05.054

Yang JY, RM Bullock, WG Dougherty, WS Kassel, B Twamley, DL DuBois, and M Rakowski DuBois. 2010. "Reduction of Oxygen Catalyzed by Nickel Diphosphine Complexes with Positioned Pendant Amines." Dalton Transactions 39(12):3001-3010.

Yang JY, S Chen, WG Dougherty, WS Kassel, RM Bullock, DL DuBois, S Raugei, RJ Rousseau, M Dupuis, and M Rakowski DuBois. 2010. "Hydrogen Oxidation Catalysis by a Nickel Diphosphine Complex with Pendant t-Butyl Amines." Chemical Communications 46:8618-8620. doi:10.1039/C0CC03246H

Yang Y, CA Mims, RS Disselkamp, JH Kwak, CHF Peden, and CT Campbell. 2010. "(Non) Formation of Methanol by Direct Hydrogenation of Formate on Copper Catalysts."  Journal of Physical Chemistry C 114(40):17205-17211.  doi:10.1021/jp104068k

Yoon KJ, CN Cramer, EC Thomsen, CA Coyle, GW Coffey, and OA Marina. 2010. "Calcium- and Cobalt-doped Yttrium Chromites as an Interconnect Material for Solid Oxide Fuel Cells." Journal of the Electrochemical Society 157(6):B856-B861.

Yu Z, R Devanathan, W Jiang, P Nachimuthu, V Shutthanandan, LV Saraf, CM Wang, SVNT Kuchibhatla, and S Thevuthasan. 2010. "Integrated Experimental and Modeling Study of Ionic Conductivity of Scandia-Stabilized Zirconia Thin Films." Solid State Ionics 181(8-10):367-371. doi:10.1016/j.ssi.2010.01.024

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Zarzycki PP, and KM Rosso. 2010. "Nonlinear Response of the Surface Electrostatic Potential Formed at Metal Oxide/Electrolyte Interfaces. A Monte Carlo Simulation Study." Journal of Colloid and Interface Science 341(1):143-152. doi:10.1016/j.jcis.2009.09.002

Zehr RT and MA Henderson. 2010.  "Thermal Chemistry and Photochemistry of Hexafluoroacetone on Rutile TiO₂(110) ."  Physical Chemistry Chemical Physics PCCP 12(28):8084-8091.

Zehr RT, NA Deskins, and MA Henderson. 2010. "Photochemistry of 1,1,1-Trifluoroacetone on Rutile TiO₂(110)." Journal of Physical Chemistry C 114(40):16900-16908. 

Zhang J, J Liu, D Wang, D Choi, LS Fifield, CM Wang, G Xia, Z Nie, Z Yang, LR Pederson, and GL Graff. 2010. "Vapor-Induced Solid-Liquid-Solid Process for Silicon-based Nanowire Growth." Journal of Power Sources 195(6 SP ISS):1691-1697.

Zhang S, Y Shao, G Yin, and Y Lin. 2010. "Electrostatic Self-Assembly of Pt-around-Au Nanocomposite with High Activity towards Formic Acid Oxidation." Angewandte Chemie International Edition 49(12):2211-2214. doi:10.1002/anie.200906987

• See Research Highlight

Zhang S, Y Shao, G Yin, and Y Lin. 2010. "Facile Synthesis of PtAu Alloy Nanoparticles with High Activity for Formic Acid Oxidation." Journal of Power Sources 195(4):1103-1106. doi:10.1016/j.jpowsour.2009.08.054

Zhang S, Y Shao, G Yin, and Y Lin. 2010. "Carbon Nanotubes Decorated with Pt Nanoparticles via Electrostatic Self-Assembly: A Highly Active Oxygen Reduction Electrocatalyst." Journal of Materials Chemistry 20(15):2826-2830. doi:10.1039/b919494k

Zhang S, Y Shao, X Li, Z Nie, Y Wang, J Liu, G Yin, and Y Lin. 2010. "Low-Cost and Durable Catalyst Support for Fuel Cells: Graphite Submicronparticles." Journal of Power Sources 195(2):457-460. doi:10.1016/j.jpowsour.2009.08.012

Zhang XY, HP Li, XL Cui, and Y Lin. 2010. "Graphene/TiO₂ Nanocomposites: Synthesis, Characterization and Application in Hydrogen Evolution from Water Photocatalytic Splitting." Journal of Materials Chemistry 20(14):2801-2806.

Zhou XD, SP Simner, JW Templeton, Z Nie, JW Stevenson, and BP Gorman. 2010. "Electrochemical Performance and Stability of the Cathode for Solid Oxide Fuel Cells II. Role of Ni Diffusion on LSM Performance." Journal of the Electrochemical Society 157(5):B643-B649.

Zhu Y, S Somasundaram, and JW Kemp. 2010. "Energy and Exergy Analysis of Gasifier-Based Coal-to-Fuel Systems." Journal of Energy Resources Technology 132(2): Art. No. 021008.

2009

Appel AM, SJ Lee, JA Franz, DL DuBois, and M Rakowski DuBois. 2009. "Free Energy Landscapes for S-H Bonds in Cp*2Mo2S4 Complexes." Journal of the American Chemical Society. doi:10.1021/ja8093179

Baer DR, MH Engelhard, AR Felmy, JJ Ford, JZ Hu, AS Lea, P Nachimuthu, LV Saraf, JA Sears, and S Thevuthasan. 2009. "New Approaches for Characterizing Sensor and Other Modern Complex Materials." ECS Transactions 19(6):137-148. doi:10.1149/1.3118546

Cheng L, D Mei, and Q Ge. 2009. "Origin of Support Effects on the Reactivity of a Ceria Cluster." Journal of Physical Chemistry C 113(42):18296-18303. doi:10.1021/jp906873t

Choi YJ, J Lu, HY Sohn, ZZ Fang, and E Ronnebro. 2009. "Effect of Milling Parameters on the Dehydrogenation Properties of the Mg-Ti-H System." Journal of Physical Chemistry C 113(44):19344-19350.

Chouyyok W, W Yantasee, Y Shin, RM Grudzien, and GE Fryxell. 2009. "Transition Metal Ion Capture Using Functional Mesoporous Carbon Made With 1,10-phenanthroline." Inorganic Chemistry Communications 12(11):1099-1103.

Daschbach JL, X Sun, TM Chang, PK Thallapally, BP McGrail, and LX Dang. 2009. "Computational studies of load dependent guest dynamics and free energies of inclusion for CO₂ in low density p-tert-butylcalix[4]arene at loadings up to 2:1." Journal of Physical Chemistry A 113(14):3369-3374.

Deskins NA, RJ Rousseau, and M Dupuis. 2009. "Localized Electronic States from Surface Hydroxyls and Polarons in TiO₂(110)." Journal of Physical Chemistry C 113(33):14583-14586.

Deskins NA, and M Dupuis. 2009. "Intrinsic Hole Migration Rates in TiO₂ from Density Functional Theory." Journal of Physical Chemistry C 113(1):346-358.

Dooley JJ, CL Davidson, and RT Dahowski. 2009. An Assessment of the Commercial Availability of Carbon Dioxide Capture and Storage Technologies as of June 2009. PNNL-18520, Pacific Northwest National Laboratory, Richland, WA.

DuBois MR and DL DuBois. 2009. "The role of the first and second coordination spheres in the design of molecular catalysts for H₂ production and oxidation." Chemical Society Reviews 38:62-72.

• See Research Highlight.

Du Y, NA Deskins, Z Zhang, Z Dohnalek, M Dupuis, and I Lyubinetsky. 2009. "Imaging Consecutive Steps of O₂ Reaction with Hydroxylated TiO₂(110): Identification of HO₂ and Terminal OH Intermediates." Journal of Physical Chemistry C 113(2):666-671.

• See Research Highlight.

Du Y, NA Deskins, Z Zhang, Z Dohnalek, M Dupuis, and I Lyubinetsky. 2009. "Two Pathways for Water Interaction with Oxygen Adatoms on TiO₂(110)." Physical Review Letters. doi:10.1103/PhysRevLett.102.096102

• See Research Highlight.

Fernandez CA, JG Bekhazi, EM Hoppes, GE Fryxell, RJ Wiacek, JT Bays, MG Warner, CM Wang, JE Hutchinson, and RS Addleman. 2009. "Advancements Toward the Greener Processing of Engineered Nanomaterials—Effect of Core Size on the Dispersibility and Transport of Gold Nanocrystals in Near-Critical Solvents." Small. doi:DOI: 10.1002/smll.200801207

Franz JA, SJ Lee, TA Bowden, MS Alnajjar, AM Appel, JC Birnbaum, TE Bitterwolf, and M Dupuis. 2009. "Activation of the S-H Group in Fe(μ₂-SH)Fe Clusters: S-H Bond Strengths and Free Radical Reactivity of the Fe(μ₂-SH)Fe Cluster." Journal of the American Chemical Society 131(42):15212-15224.

Fulton JL, SM Kathmann, GK Schenter, and M Balasubramanian. 2009. "Hydrated Structure of Ag(I) Ion from Symmetry-Dependent, K- and L-edge XAFS Multiple Scattering and Molecular Dynamics Simulations." Journal of Physical Chemistry A 113(50):13976-13984.

Gupta S, SVNT Kuchibhatla, MH Engelhard, V Shutthanandan, P Nachimuthu, W Jiang, LV Saraf, S Thevuthasan, and S Prasad. 2009. "Influence of samaria doping on the resistance of ceria thin films and its implications to the planar oxygen sensing devices." Sensors and Actuators. B, Chemical 139(2):380-386. doi:10.1016/j.snb.2009.03.021

Hu JZ, JA Sears, Jr, JH Kwak, DW Hoyt, Y Wang, and CHF Peden. 2009. "An Isotropic Chemical Shift-Chemical Shift Anisotropic Correlation Experiment Using Discrete Magic Angle Turning." Journal of Magnetic Resonance 198(1):105-110.

Hu JZ, JH Kwak, Y Wang, CHF Peden, H Zheng, D Ma, and X Bao. 2009. "Studies of the Active Sites for Methane Dehydroaromatization Using Ultrahigh-Field Solid-State Mo95 NMR Spectroscopy." Journal of Physical Chemistry C 113(7):2936-2942. doi:10.1021/jp8107914

Huang W, S Bulusu, R Pal, XC Zeng, and LS Wang. 2009. "CO Chemisorption on the Surfaces of the Golden Cages." Journal of Chemical Physics 131(23):Art. No. 234305. doi:10.1063/1.3273326

Huesemann MH, and JR Benemann. 2009. "Biofuels from microalgae: Review of products, processes, and potential, with special focus on Dunaliella sp. ." Chapter 19 in The Alga Dunaliella: Biodiversity, Physiology, Genomics, and Biotechnology, ed. Ami Ben-Amotz, J�rgen E.W. Polle, and D.V. Subba Rao, pp. 445-474. Science Publishers, New Hampshire.

Jones SB, C Valkenburg, CW Walton, DC Elliott, JE Holladay, DJ Stevens, C Kinchin, and S Czernik. 2009. Production of Gasoline and Diesel from Biomass via Fast Pyrolysis, Hydrotreating and Hydrocracking: A Design Case. PNNL-18284 Rev. 1, Pacific Northwest National Laboratory, Richland, WA.

Kang X, J Wang, Z Tang, H Wu, and Y Lin. 2009. "Direct electrochemistry and electrocatalysis of horseradish peroxidase immobilized in hybrid organic-inorganic film of chitosan/sol-gel/carbon nanotubes." Talanta 78(1):120-125.

Karkamkar AJ, SM Kathmann, GK Schenter, DJ Heldebrant, NJ Hess, MS Gutowski, and T Autrey. 2009. "Thermodynamic and Structural Investigations of Ammonium Borohydride, a Solid with a Highest Content of Thermodynamically and Kinetically Accessible Hydrogen." Chemistry of Materials 21(19):4356-4358. doi:10.1021/cm902385c

Kathmann SM, GK Schenter, BC Garrett, B Chen, and JI Siepmann. 2009. "Thermodynamics and Kinetics of Nanoclusters Controlling Gas-to-Particle Nucleation." Journal of Physical Chemistry C 113(24):10354-10370. doi:10.1021/ja802851w
See 2 Reaction with Hydroxylated TiO₂(110): Identification of HO₂ and Terminal OH Intermediates." Journal of Physical Chemistry C 113(2):666-671.

• See Research Highlight.

Kathmann SM, VM Parvanov, GK Schenter, AC Stowe, LL Daemen, MA Hartl, JC Linehan, NJ Hess, AJ Karkamkar, and T Autrey. 2009. "Experimental and Computational Studies on Collective Hydrogen Dynamics in Ammonia Borane: Incoherent Inelastic Neutron Scattering." Journal of Chemical Physics 130(2):024507. doi:10.1063/1.3042270

Kerisit SN, KM Rosso, Z Yang, and J Liu. 2009. "Dynamics of Coupled Lithium/Electron Diffusion in TiO₂ Polymorphs." Journal of Physical Chemistry C 113(49):20998-21007.

Kim DH, JH Kwak, J Szanyi, X Wang, MH Engelhard, and CHF Peden. 2009. "Promotional Effect of CO₂ on Desulfation Processes for Pre-Sulfated Pt Bao/Al₂O₃ Lean Nox Trap Catalysts." Topics in Catalysis 52(13-20):1719-1722. doi:10.1007/s11244-009-9328-8

Kim DH, JH Kwak, J Szanyi, X Wang, G Li, JC Hanson, and CHF Peden. 2009. "Characteristics of Desulfation Behavior for Pre-Sulfated Pt-BaO/CeO₂ Lean NOx Trap Catalysts: The Role of the CeO₂ Support." Journal of Physical Chemistry C 113(50):21123-21129 . doi:10.1021/jp9062548

Kim YK, Z Dohnalek, BD Kay, and RJ Rousseau. 2009. "Competitive Oxidation and Reduction of Aliphatic Alcohols over (WO3)3 Clusters." Journal of Physical Chemistry C 113(22):9721-9730.

Kim YK, Z Zhang, GS Parkinson, SC Li, BD Kay, and Z Dohnalek. 2009. "Reactivity of FeO(111)/Pt(111)with Alcohols." Journal of Physical Chemistry C 113(46):20020-20028.

Kuchibhatla SVNT, S Hu, Z Yu, V Shutthanandan, Y Li, P Nachimuthu, W Jiang, S Thevuthasan, CH Henager, Jr, and SK Sundaram. 2009. "Morphology, Orientation Relationship and Stability Analysis of Cu2O nanoclusters on SrTiO3 (100)." Applied Physics Letters 95(5):053111:1-3. doi:10.1063/1.3193530

Laskin A, JS Smith, and J Laskin. 2009. "Molecular Characterization of Nitrogen Containing Organic Compounds in Biomass Burning Aerosols Using High Resolution Mass Spectrometry." Environmental Science & Technology 43(10):3764-3771. doi:10.1021/es803456n

• See Research Highlight.

Li J, and Y Lin. 2009. "Nanomaterials for Sensing and Electrocatalysis." Journal of Nanoscience and Nanotechnology 9(4):2173-2174.

Li L, DL King, J Liu, Q Huo, K Zhu, CM Wang, MA Gerber, DJ Stevens, and Y Wang. 2009. "Stabilization of Metal Nanoparticles in Cubic Mesostructured Silica and Its Application in Regenerable Deep Desulfurization of Warm Syngas." Chemistry of Materials 21(22):5358-5364.

Li S, HJ Zhai, LS Wang, and DA Dixon. 2009. "Structural and Electronic Properties of Reduced Transition Metal Oxide Clusters, M₃O₈ and M₃O₈- (M=Cr, W), from Photoelectron Spectroscopy and Quantum Chemical Calculations." Journal of Physical Chemistry A 113(42):11273-11288. doi:10.1021/jp9082008

Lin SSY, DH Kim, and SY Ha. 2009. "Metallic phases of cobalt-based catalysts in ethanol steam reforming: The effect of cerium oxide." Applied Catalysis. A, General 355(1-2):69-77.

Marina OA, CA Coyle, EC Thomsen, DJ Edwards, CN Cramer, GW Coffey, and LR Pederson. 2009. SECA Coal-Based Systems Core Research: Anode Reactions in Coal-Derived Fuels. PNNL-18557, Pacific Northwest National Laboratory, Richland, WA.

Marina OA, LR Pederson, CA Coyle, EC Thomsen, and GW Coffey. 2009. "Ni/YSZ Anode Interactions with Impurities in Coal Gas." ECS Transactions 25(2):2125-2130.

Mei D, M Neurock, and CM Smith. 2009. "Hydrogenation of Acetylene-Ethylene Mixtures over Pd and Pd-Ag Alloys: First-Principles Based Kinetic Monte Carlo Simulations." Journal of Catalysis 268(2):181-195.

Mei D, Q Ge, JH Kwak, DH Kim, CM Verrier, J Szanyi, and CHF Peden. 2009. "Characterization of Surface and Bulk Nitrates of γ-Al2O3-Supported Alkaline Earth Oxides using Density Functional Theory." Physical Chemistry Chemical Physics. PCCP 11(18):3380-3389. doi:10.1039/b819347a

Mei D, L Xu, and GA Henkelman. 2009. "Potential Energy Surface of Methanol Decomposition on Cu(110)." Journal of Physical Chemistry C 113(11):4522-4537.

Minato T, Y Sainoo, Y Kim, HS Kato, K Aika, M Kawai, J Zhao, H Petek, T Huang, W He, B Wang, Z Wang, Y Zhao, J Yang, and JG Hou. 2009. "The Electronic Structure of Oxygen Atom Vacancy and Hydroxyl Impurity Defects on Titanium Dioxide (110) Surface." Journal of Chemical Physics 130(12):124502-1 - 124502-11.

Mock MT, RG Potter, DM Camaioni, J Li, WG Dougherty, WS Kassel, B Twamley, and DL DuBois. 2009. "Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX₃ Compounds." Journal of the American Chemical Society 131(40):14454-14465.

Mudiyanselage K, CW Yi, and J Szanyi. 2009. "Oxygen coverage dependence of NO oxidation on Pt(111)." Journal of Physical Chemistry C 113(14):5766-5776.

Murugesan V, SN Kerisit, CM Wang, Z Nie, KM Rosso, Z Yang, GL Graff, J Liu, and JZ Hu. 2009. "Effect of Chemical Lithium Intercalation into Rutile TiO₂ Nanorods." Journal of Physical Chemistry C 113(32):14567-14574. doi:10.1021/jp904148z

Murugesan V, SN Kerisit, Z Yang, GL Graff, J Liu, JA Sears, SD Burton, KM Rosso, and JZ Hu. 2009. "A Combined ^6,7Li NMR and Molecular Dynamics Study of Li Diffusion in Li₂TiO₃." Journal of Physical Chemistry C 113(46):20108-20116. doi:10.1021/jp9072125

Nachimuthu P, YJ Kim, SVNT Kuchibhatla, Z Yu, W Jiang, MH Engelhard, V Shutthanandan, J Szanyi, and S Thevuthasan. 2009. "Growth and characterization of barium oxide nanoclusters on YSZ(111)." Journal of Physical Chemistry C 113(32):14324-14328. doi:10.1021/jp9020068

Neiner D, AJ Karkamkar, JC Linehan, BW Arey, T Autrey, and SM Kauzlarich. 2009. "Promotion of Hydrogen Release from Ammonia Borane with Mechanically Activated Hexagonal Boron Nitride." Journal of Physical Chemistry C 113(3):1098-1103. doi:10.1021/jp8087385

Palo DR. 2009. Microchannel Assisted Nanomaterial Deposition Technology for Photovoltaic Material Production, Quarterly Progress Report, April-June 2009 . PNNL-18632, Pacific Northwest National Laboratory, Richland, WA.

Palo DR. 2009. Quarterly Progress Report (1): Microchannel-Assisted Nanomaterial Deposition Technology for Photovoltaic Material Production. PNNL-18262-1, Pacific Northwest National Laboratory, Richland, WA.

Paolone A, O Palumbo, P Rispoli, R Cantelli, and T Autrey. 2009. "Hydrogen dynamics and characterization of the tetragonal-to-orthorhombic phase transformation in ammonia borane." Journal of Physical Chemistry C 113(14):5872-5878.

Paolone A, O Palumbo, P Rispoli, R Cantelli, T Autrey, and AJ Karkamkar. 2009. "Absence of the structural phase transition in ammonia borane dispersed in mesoporous silica: Evidence of novel thermodynamic properties." Journal of Physical Chemistry C 113(24):10319-10321.

Parkinson GS, Z Dohnalek, RS Smith, and BD Kay. 2009. "Reactivity of C2Cl6 and C2Cl4 multilayers with Fe0 atoms over Fe^O(111)." Journal of Physical Chemistry C 113(23):10233-10241.

Parkinson GS, YK Kim, Z Dohnalek, RS Smith, and BD Kay. 2009. "Reactivity of Fe⁰ atoms and clusters with D2O over Fe^O(111)." Journal of Physical Chemistry C 113(2):4960-4969.

• See Research Highlight.

Petrik NG, and GA Kimmel. 2009. "Nonthermal Water Splitting on Rutile TiO₂: Electron-Stimulated Production of H 2 and O 2 in Amorphous Solid Water Films on TiO₂(110)." Journal of Physical Chemistry C 113(11):4451-4460.

Rakowski DuBois M, and DL DuBois. 2009. "Development of Molecular Electrocatalysts for CO₂ Reduction and H₂ Production/Oxidation." Accounts of Chemical Research 42(12):1974-1982.

Shao Y, MH Engelhard, and Y Lin. 2009. "Electrochemical Investigation of Polyhalide Ion Oxidation-Reduction on Carbon Nanotube Electrodes for Redox Flow Batteries." Electrochemistry Communications 11(10):2064-2067. doi:10.1016/j.elecom.2009.08.053

Shi L, SM Chowdhury, HS Smallwood, H Yoon, HM Brewer, AD Norbeck, JE Thomsen EC, GW Coffey, LR Pederson, and OA Marina. 2009. "Performance of Lanthanum Strontium Manganite Electrodes at High Pressure." Journal of Power Sources 191(2):217-224.

Shin Y, and GJ Exarhos. 2009. "Template Synthesis of Nanostructured Metals using Cellulose Nanocrystal." Chapter 12 in The Nanoscience and Technology of Renewable Biomaterials, ed. L.A. Lucia and O.J. Rojas, pp. 315-335. Wiley-Blackwell Publishing, Hoboken, NJ.

Shin Y, JY Kim, JF Bonnett, and KS Weil. 2009. "Controlled deposition of covalently bonded tantalum oxide on carbon supports by solvent evaporation sol-gel process." Surface Science 603(15):2290-2293.

Su Y, HM Brown, X Huang, XD Zhou, JE Amonette, and ZC Zhang. 2009. "Single-Step Conversion of Cellulose to 5-Hydroxymethylfurfural (HMF), a Versatile Platform Chemical," Applied Catalysis A, General, doi:10.1016/j.apcata.2009.04.002

• See Research Highlight.

Trevisanutto PE, PV Sushko, KM Beck, AG Joly, WP Hess, and AL Shluger. 2009. "Excitation, Ionization, and Desorption: How Sub-band-gap Photons Modify the Structure of Oxide Nanoparticles." Journal of Physical Chemistry C 113(4):1274-1279.

Ye S, F Wu, X Ye, and Y Lin. 2009. "Supercritical Fluid Assisted Synthesis and Processing of Carbon Nanotubes." Journal of Nanoscience and Nanotechnology 9(5):2781-2794.

Yi CWW, and J Szanyi. 2009. "BaO/Al₂O₃/NiAl(110) Model NO_x Storage Materials: the effect of BaO film thickness on the amorphous-to-crystalline Ba(NO₃)₂ phase transition." Journal of Physical Chemistry C 113(2):716-723.

Wang CM, DR Baer, JE Amonette, MH Engelhard, J Antony, and Y Qiang. 2009. "Morphology and Electronic Structure of Oxide Shell on the Surface of Iron Nanoparticles." Journal of the American Chemical Society 131(25):8824-8832.

Wang CM, Z Yang, S Thevuthasan, J Liu, DR Baer, D Choi, D Wang, J Zhang, LV Saraf, and Z Nie. 2009. "Crystal and Electronic Structure of Lithiated Nanosized RutileTiO₂ by Electron Diffraction and Electron Energy-loss Spectroscopy." Applied Physics Letters 94:233116-1.

Wang XB, YL Wang, J Yang, X Xing, J Li, and LS Wang. 2009. "Evidence of Significant Covalent Bonding in Au(CN)₂-." Journal of the American Chemical Society 131(45):16368-16370.

Windisch CF, Jr, PK Thallapally, and BP McGrail. 2009. "Adsorption of CO₂ on Co^II₃[Co^III(CN)₆]₂ Using DRIFTS." Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 74(3):629-634. doi:10.1016/j.saa.2009.07.004

Xiao J, W Xu, D Choi, and J Zhang. 2009. "Synthesis and Characterization of Lithium Manganese Phosphate by a Precipitation Method." Journal of the Electrochemical Society 157(2):A142-A147. doi:10.1149/1.3265440

Xu L, D Mei, and GA Henkelman. 2009. "Adaptive Kinetic Monte Carlo Simulation Of Methanol Decomposition on Cu(100)." Journal of Chemical Physics 131(24):Art. No. 244520. doi:10.1063/1.3281688

Zakzeski J, SD Burton, A Behn, MP Head-Gordon, and AT Bell. 2009. "Spectroscopic Investigation of the Species Involved in the Rhodium-Catalyzed Oxidative Carbonylation of Toluene to Toluic Acid." Physical Chemistry Chemical Physics. PCCP 11(42):9903-9911. doi:10.1039/b906883j

Zarzycki PP, and KM Rosso. 2009. "Origin of two time-scale regimes in potentiometric titration of metal oxides. A replica kinetic Monte Carlo study." Langmuir 25(12):6841-6848.

Zhang S, Y Shao, G Yin, and Y Lin. 2009. "Stabilization of Platinum Nanoparticle Electrocatalysts for Oxygen Reduction Using Poly(diallyldimethylammonium chloride)." Journal of Materials Chemistry 19(42):7995 - 8001. doi:10.1039/b912104h

Zhang Z, RJ Rousseau, J Gong, BD Kay, and Z Dohnalek. 2009. "Imaging Hindered Rotations of Alkoxy Species on TiO₂(110)." Journal of the American Chemical Society 131(49):17926-17932.

• See Research Highlight.

Zhou XD, LR Pederson, JW Templeton, and JW Stevenson. 2009. "Electrochemical Performance and Stability of the Cathode for Solid Oxide Fuel Cells. I. Cross Validation of Polarization Measurements by Impedance Spectroscopy and Current-Potential Sweep." Journal of the Electrochemical Society 157(2):B220-B227.

2008

Andersen A, N Govind, and L Subramanian. 2008. "Theoretical Study of the Mechanism Behind the para-Selective Nitration of Toluene in Zeolite H-Beta." Molecular Simulation. doi:10.1080/08927020802191958

Averkiev BB, S Call, AI Boldyrev, L Wang, W Huang, and LS Wang. 2008. "Photoelectron Spectroscopy and Ab Initio Study of the Structure and Bonding in A1₇N- and A1₇N." Journal of Physical Chemistry A 112(09):1873-1879.

Bell AT, BC Gates, D Ray, and MR Thompson. 2008. Basic Research Needs: Catalysis for Energy. PNNL-17214, Pacific Northwest National Laboratory, Richland, WA.

Bowmaker GA, JV Hanna, FE Hahn, AS Lipton, CE Oldham, BW Skelton, ME Smith, and AH White. 2008. "Structural and Spectroscopic Studies of Some Copper(I) halide tert-butyl isocyanide Adducts." Journal of the Chemical Society. Dalton Transactions 2008(13):1710-1720. doi:10.1039/b712815k.

Chambers SA. 2008. "Molecular beam epitaxial growth of doped oxide semiconductors." Journal of Physics. Condensed Matter 20(26):Art. No. 264004.

Cheng TY, DJ Szalda, JC Hanson, JT Muckerman, and RM Bullock. 2008. "Four-Electron Donor Hemilabile n3-PPh3 Ligand that Binds Through a C = C Bond Rather than an Agostic C-H Interaction, and Displacement of the C = C by Methyl Iodide or Water." Organometallics 27(15):3785-3795.

Cheng Y, J Hoard, C Lambert, JH Kwak, and CHF Peden. 2008. "NMR Studies of Cu/zeolite SCR Catalysts Hydrothermally Aged with Urea." Catalysis Today 136(1-2):34-39. doi:10.1016/j.cattod.2008.01.019.

Cheung SH, P Nachimuthu, MH Engelhard, CM Wang, and SA Chambers. 2008. "N Incorporation, Composition and Electronic Structure in N-doped TiO₂(001) Anatase Epitaxial Films Grown on LaAlO3(001)." Surface Science 602(1):133-141. doi:10.1016/j.susc.2007.09.061.

Campbell AA. 2008. EMSL Strategic Plan 2008. PNNL-17753, Pacific Northwest National Laboratory, Richland, WA.

Dietrich BL, KI Goldberg, DM Heinekey, T Autrey, and JC Linehan. 2008. "Iridium Catalyzed Dehydrogenation of Substituted Amine-Boranes: Kinetics, Thermodynamics and Implications for Hydrogen Storage." Inorganic Chemistry 47(19):8583-8585.

Disselkamp RS, BD Harris, JN Patel, TR Hart, and CHF Peden. 2008. "Propanal synthesis from aqueous propylene glycol/hydrogen peroxide on a Ru/alumina catalyst." Inorganic Chemistry Communications 11(5):561-563. doi:doi:10.1016/j.inoche.2008.01.024.

Elliott DC, J Holmgren, R Marinangelli, P nair, and R Bain. 2008. "Consider Upgrading Pyrolysis Oils into Renewable Fuels." Hydrocarbon Processing 87(9):95-103.

Epling WS, I Nova, and CHF Peden. 2008. "Preface." Catalysis Today 136(1-2):1-2. doi:10.1016/j.cattod.2008.03.008.

Epling WS, CHF Peden, and J Szanyi. 2008. "Carbonate Formation and Stability on a Pt/BaO/γ-Al2O3 NOx Storage/Reduction Catalyst." Journal of Physical Chemistry 112(29):10952-10959. doi:10.1021/jp712180q.

Fernandez CA, RJ Wiacek, N Ponnusany, GE Fryxell, AM Pierson, CL Warner, MG Warner, and RS Addleman. 2008. "A Simple Method for the Prevention of Non-Specific Adsorption by Nanocrystals onto Surfaces." Journal of Nanoscience and Nanotechnology 5(8):5781-5786.

Fister TT, FD Vila, GT Seidler, L Svec, JC Linehan, and JO Cross. 2008. "The Local Electronic Structure of Dicarba-closo-dodecaboranes C2B10H12." Journal of the American Chemical Society 130(3):925-932. doi:10.1021/ja074794u.

Fox E, S Velu, MH Engelhard, YH Chin, JT Miller, J Kropf, and C Song. 2008. "Characterization of CeO2-Supported Cu-Pd Bimetallic Catalyst for the Oxygen-Assisted Water-Gas Shift Reaction." Journal of Catalysis 260(2).

Gates BC, G Huber, CL Marshall, PN Ross, J Siirola, and Y Wang. 2008. "Catalysts for Emerging Energy Applications." MRS Bulletin 33(4):429-435.

Gerber MA, JF White, MJ Gray, and DJ Stevens. 2008. Evaluation of Promoters for Rhodium-Based Catalysts for Mixed Alcohol Synthesis. PNNL-17857, Pacific Northwest National Laboratory, Richland, WA.

Herrera JE, JH Kwak, JZ Hu, Y Wang, and CHF Peden. 2008. "Effects of Novel Supports on the Physical and Catalytic Properties of Tungstophosphoric Acid for Alcohol Dehydration Reactions." Topics in Catalysis 49(3-4):259-267. doi:10.1007/s11244-008-9081-4

Hess NJ, ME Bowden, VM Parvanov, CJ Mundy, SM Kathmann, GK Schenter, and T Autrey. 2008. "Spectroscopic Studies of the Phase Transition in Ammonia Borane: Raman Spectroscopy of Single Crystal NH3BH3 as a Function of Temperature from 88 to 330 K." Journal of Chemical Physics 128(3): Art. No. 034508. doi:10.1063/1.2820768.

Karkamkar AJ. 2008. BET Surface Area Measurements of Silica Nanosprings. PNNL-17648, Pacific Northwest National Laboratory, Richland, Washington.

Karkamkar AJ, WJ Shaw, TD Smurthwaite, JC Linehan, T Autrey, Z Xiong, YS Chua, and C Ping. 2008. "Interaction of lithium hydride and ammonia borane in THF ." Chemical Communications 43:5595-5597. doi:10.1039/b812576g

Karakoti AS, S Kuchibhatla, DR Baer, S Thevuthasan, DC Sayle, and S Seal. 2008. "Self-Assembly of Cerium Oxide Nanostructures in Ice Molds." Small 4(8):1210-1216.

Kim DH, JH Kwak, X Wang, J Szanyi, and CHF Peden. 2008. "Sequential high temperature reduction, low temperature hydrolysis for the regeneration of sulfated NO_x trap catalysts." Catalysis Today 136(1-2):183-187. doi:doi:10.1016/j.cattod.2007.12.134.

Kim DH, YH Chin, JH Kwak, and CHF Peden. 2008. "Promotional Effects of H₂O Treatment on NO_x Storage over Fresh and Thermally Aged Pt-BaO/Al₂O₃ Lean NOx Trap Catalysts." Catalysis Letters 124(1-2):39-45.

Kim DH, JH Kwak, J Szanyi, SJ Cho, and CHF Peden. 2008. "Roles of Pt and BaO in the Sulfation of Pt/BaO/Al₂O₃ Lean NOx Trap Materials: Sulfur K-edge XANES and Pt LIII XAFS Studies." Journal of Physical Chemistry C 112(8):2981-2987. doi:10.1021/jp07.

Kim J, JW Grate, and P Wang. 2008. "Nanobiocatalysis and Its Potential Applications." Trends in Biotechnology 26(11):639-646.

Kim YK, BD Kay, JM White, and Z Dohnalek. 2008. "2-Propanol Dehydration on TiO₂(110): The Effect of Bridge-Bonded Oxygen Vacancy Blocking." Surface Science 602(2):511-516.

King DL, JJ Strohm, X Wang, HS Roh, CM Wang, YH Chin, Y Wang, Y Lin, RT Rozmiarek, and P Singh. 2008. "Effect of Nickel Microstructure on Methane Steam Reforming Activity of Ni-YSZ Cermet Anode Catalyst." Journal of Catalysis 258(2):356-365.

Kwak JH, DH Kim, J Szanyi, and CHF Peden. 2008. "Excellent Sulfur Resistance of Pt/BaO/CeO2 Lean NOx Trap Catalysts." Applied Catalysis. B, Environmental 84(3-4):545-551. doi:10.1016/j.apcatb.2008.05.009

Kwak JH, JZ Hu, AC Lukaski, DH Kim, J Szanyi, and CHF Peden. 2008. "The Role of PentaCoordinated A^l3+ Ions in the High Temperature Phase Transformation of γ-Al2O3." Journal of Physical Chemistry C 112(25):9486-9492. doi:10.1021/jp802631u.

Lei C, TA Soares, Y Shin, J Liu, and EJ Ackerman. 2008. "Enzyme Specific Activity in Functionalized Nanoporous Supports." Nanotechnology 19(12): Art. No. 125102. doi:10.1088/0957-4484/19/12/125102.

Lutzenkirchen J, JFF Boily, L Gunneriusson, L Lovgren, and S Sjojberg. 2008. "Protonation of Different Goethite Surfaces - Unified Models for NaNO3 and NaCl Media." Journal of Colloid and Interface Science 317(1):155-165.

Matsubara T, M Dupuis, and M Aida. 2008. "An Insight into the Environmental Effects of the Pocket of the Active Site of the Enzyme. Ab initio ONIOM-Molecular Dynamics (MD) Study on Cytosine Deaminase." Journal of Computational Chemistry 29(3):458-465.

Mei D, NA Deskins, M Dupuis, and Q Ge.2008. "Density Functional Theory Study of Methanol Decomposition on the CeO2(110) Surface." Journal of Physical Chemistry C 112(11):4257-4266.

Mei D, Q Ge, JH Kwak, DH Kim, J Szanyi, and CHF Peden. 2008. "Adsorption and Formation of BaO Overlayers on Gamma-Al2O3 Surfaces." Journal of Physical Chemistry C 112(46):18050-18060. doi:10.1021/jp806212z

Mundy CJ, W Kuo, MJ McGrath, and JI Siepmann. 2008. "Structure of the Methanol Liquid-Vapor Interface: A Comprehensive Particle-Based Study." Journal of Physical Chemistry C 112(39):15412-15418.

Ott K, CL Aardahl, and F Lipiecki. 2008. Milestone Report: 2Q FY08 Downselect of Chemical Hydrogen Storage Materials, Catalysts, and Spent Fuel Regeneration Processes. PNNL-17301, Pacific Northwest National Laboratory, Richland, WA.

Ozensoy E, DR Herling, and J Szanyi. 2008. "NO_x Reduction on a Transition Metal-free γ-Al2O3 Catalyst Using Dimethylether (DME)." Catalysis Today 136(1-2):46-54.

Parvanov VM, GK Schenter, NJ Hess, LL Daemen, MA Hartl, AC Stowe, DM Camaioni, and T Autrey. 2008. "Materials for Hydrogen Storage: Structure and Dynamics of Borane Ammonia Complex." Journal of the Chemical Society. Dalton Transactions (33):4514-4522.

Rakowski DuBois M, and DL DuBois. 2008. "The roles of the first and second coordination spheres in the design of molecular catalysts for H2 production and oxidation." Chemical Society Reviews. [In Press]

Saheb AH, JA Smith, M Josowicz, J Janata, DR Baer, and MH Engelhard. 2008. "Controlling Size of Gold Clusters in Polyaniline from Top-Down and from Bottom-Up." Journal of Electroanalytical Chemistry 621(2):238-244. doi:10.1016/j.jelechem.2007.11.025

Shao Y, R Kou, J Wang, VV Viswanathan, JH Kwak, J Liu, Y Wang, and Y Lin. 2008. "The Influence of the Electrochemical Stressing (Potential Step and Potential-Static Holding) on the Degradation of Polymer Electrolyte Membrane Fuel Cell Electrocatalysts." Journal of Power Sources 185(1):280-286. doi:10.1016/j.jpowsour.2008.07.008

Shaw WJ, JC Linehan, NK Szymczak, DJ Heldebrant, CR Yonker, DM Camaioni, RT Baker, and T Autrey. 2008. "In Situ Multinuclear NMR Studies of the Thermal Decomposition of Ammonia Borane in Solution." Angewandte Chemie International Edition 47(39):7493-7496.

Shin Y, GE Fryxell, C Johnson, and MM Haley. 2008. "Templated Synthesis of Pyridine Functionalized Mesoporous Carbons through the Cyclotrimerization of Diethynylpyridines." Chemistry of Materials 20(3):981-986. doi:10.1021/cm070979o.

Shin Y, IT Bae, BW Arey, and GJ Exarhos. 2008. "Facile stabilization of gold-silver alloy nanoparticles on cellulose nanocrystal." Journal of Physical Chemistry C 112(13):4844-4848. doi:10.1021/jp710767w.

Thallapally PK, BP McGrail, JL Atwood, J Tian, SJ Dalgarno, RK Motkuri, and CA Fernandez. 2008. "Flexible (Breathing) Interpenetrated Metal?Organic Frameworks for CO2 Separation Applications." Journal of the American Chemical Society 130(50):16842-16843.

Verrier CLM, JH Kwak, DH Kim, CHF Peden, and J Szanyi. 2008. "NO_x uptake on alkaline earth oxides (BaO, MgO, CaO and SrO) supported on γ-Al2O3." Catalysis Today 136(1-2):121-127. doi:10.1016/j.cattod.2007.12.138.

Wang D, D Choi, Z Yang, VV Viswanathan, Z Nie, CM Wang, Y Song, J Zhang, and J Liu. 2008. "Synthesis and Li-ion Insertion Properties of Highly Crystalline Mesoporous Rutile TiO₂." Chemistry of Materials 20(10):3435-3442.

Wang D, Z Ma, S Dai, J Liu, Z Nie, MH Engelhard, Q Huo, CM Wang, and R Kou. 2008. "Low-Temperature Synthesis of Tunable Mesoporous Crystalline Transition Metal Oxides and Applications as Au Catalyst Supports." Journal of Physical Chemistry C 112(35):13499-13509. doi:10.1021/jp804250f

Wang Y, J Liu, Y Lin, VV Viswanathan, JH Kwak, R Kou, and Y Shao. 2008. Development of Alternative and Durable High Performance Cathode Supports for PEM Fuel Cells. PNNL-17724, Pacific Northwest National Laboratory, Richland, WA.

Wang Z, XT Zu, HY Xiao, F Gao, and WJ Weber. 2008. "Tuning the Band Structures of Single Walled Silicon Carbide Nanotubes with Uniaxial Strain: A First Principles Study." Applied Physics Letters 92(18):183116. doi:10.1063/1.2924307.

Wilson A, K Fraze, B Twamley, SM Miller, DL DuBois, and MC DuBois. 2008. "The Role of the Second Coordination Sphere of [Ni((P2N2Bz)-N-Cy)(2)](BF4)(2) in Reversible Carbon Monoxide Binding." Journal of the American Chemical Society 130(3):1061-1068. doi:10.1021/ja077328d.

Xiao H, XT Zu, F Gao, and WJ Weber. 2008. "First-principles Study of Energetic and Electronic Properties of A2Ti2O7 (A=Sm, Gd, Er) Pyrochlore." Journal of Applied Physics 104(7):073503. doi:10.1063/1.2986156

Yang Y, C Mims, RS Disselkamp, D Mei, JH Kwak, J Szanyi, CHF Peden, and CT Campbell. 2008. "Isotope Effects in Methanol Synthesis and the Reactivity of Copper Formates on a Cu/SiO2 Catalyst." Catalysis Letters 125(3-4):201-208. doi:10.1007/s10562-008-9592-4.

Xiong Z, CK Yong, G Wu, P Chen, WJ Shaw, AJ Karkamkar, T Autrey, MO Jones, S Johnson, P Edwards, and B David. 2008. "High-capacity Hydrogen Storage in Lithium and Sodium Amidoboranes." Nature Materials 7(2):138-141. doi:10.1038/nmat2081.

Yang ZG. 2008. "Recent Advances in Metallic Interconnects for Solid Oxide Fuel Cells." International Materials Reviews 53(1):39-54.

Zhai HJ, LL Pan, B Dai, B Kiran, J Li, and LS Wang. 2008. "Chemisorption-Induced Structural Changes and Transition from Chemisorption to Physisorption in Au6(CO)n-(n=4-9)." Journal of Physical Chemistry 112(31):11920-11928.

Zhang Z, RJ Rousseau, J Gong, SC Li, BD Kay, Q Ge, JM White, and Z Dohnalek. 2008. "Vacancy Assisted Diffusion of Alkoxy Species on Rutile TiO₂(110)." Physical Review Letters 101(15):art no. 156103.

Zheng H, D Ma, X Bao, JZ Hu, JH Kwak, Y Wang, and CHF Peden. 2008. "Direct Observation of the Active Center for Methane Dehydroaromatization Using an Ultrahigh Field 95Mo NMR Spectroscopy." Journal of the American Chemical Society 130(12):3722-3723. doi:10.1021/ja7110916.

2007

Antony J, Y Qiang, M Faheem, D Meyer, DE McCready, and MH Engelhard. 2007. "Ferromagnetic Semiconductor Nanoclusters: Co-doped Cu2O." Applied Physics Letters 90(1): Art. No. 013106. doi 10.1963/1.2429018

Baer DR. 2007. "Improving Surface Analysis Methods for Characterization of Advanced Materials by development of standards, reference data, and interlaboratory comparisons." Surface and Interface Analysis 39(4):283-293. doi:10.1002/sia.2508

Bondarchuk O, Y Kim, JM White, J Kim, BD Kay, and Z Dohnalek. 2007. "Surface Chemistry of 2-Propanol on TiO₂(110): Low and High Temperature Dehydration, Isotope Effects, and Influence of Local Surface Structure." Journal of Physical Chemistry C 111(29):11057-11067. doi:doi:10.1021/jp072298m

Brooks KP, J Hu, H Zhu, and R Kee. 2007. "Methanation of Carbon Dioxide by Hydrogen Reduction Using the Sabatier Process in Microchannel Reactors." Chemical Engineering Science 62(4):1161-1170. doi:10.1016/j.ces.2006.11.020

Bullock RM. 2007. "An Iron Catalyst for Ketone Hydrogenations Under Mild Conditions.” Angewandte Chemie International Edition 46(39):7360-7363. doi:10.1002/anie.200703053

Cai M, SC Langford, JT Dickinson, G Xiong, TC Droubay, AG Joly, KM Beck, and WP Hess. 2007. "An In Situ Study of the Martensitic Transformation in Shape Memory Alloys Using Photoemission Electron Microscopy." Journal of Nuclear Materials 361(2-3):306-312. doi:10.1016/j.jnucmat.2006.12.008

Cai M, SC Langford, MJ Wu, WM Huang, G Xiong, TC Droubay, AG Joly, K Beck, WP Hess, and JT Dickinson. 2007. "Study of Martensitic Phase Transformation in a NiTiCu Thin-Film Shape-Memory Alloy Using Photoelectron Emission Microscopy." Advanced Functional Materials 17(1):161-167. doi:10.1002/adfm.200600611

Chambers SA, DA Schwartz, WK Liu, KR Kittilstved, and DR Gamelin. 2007. "Growth, Electronic and Magnetic Properties of Doped ZnO Epitaxial and Nanocrystalline Films." Applied Physics A, Materials Science and Processing 88(1):1-5. doi:10.1007/s00339-007-3948-2

Chang JH, ME Park, Y Shin, GJ Exarhos, KJ Kim, S Lee, and K Oh. 2007. "Functional Scaffolds of Bicontinuous, Thermoresponsive L3-Phase Silica/Hydroxyapatite Nanocomposites." Journal of Materials Chemistry 17(3):238-242. doi:10.1039/b609409k

Chaparadza A, SB Rananavare, and V Shutthanandan. 2007. "Synthesis and characterization of lithium-doped tin dioxide nanocrystalline powders." Materials Chemistry and Physics 102(2-3):176-180. doi:10.1016/j.matchemphys.2006.11.022

Chen G, X Xu, Y Lin, and J Wang. 2007. "A Sol-Gel-Modified Poly(Methyl Methacrylate) Electrophoresis Microchip with a Hydrophilic Channel Wall." Chemistry - a European Journal 13(22):6461-6467. doi:10.1002/chem.200700242

Cheung I, P Nachimuthu, AG Joly, MH Engelhard, MK Bowman, and SA Chambers. 2007. "N incorporation and electronic structure in N-doped TiO₂(110) rutile." Surface Science 601(7):1754-1762. doi:10.1016/j.susc.2007.01.051

Chimentao RJ, JL Herrera, JH Kwak, F Medina, Y Wang, and CHF Peden. 2007. "Oxidation of Ethanol to Acetaldehyde over Na-promoted Vanadium Oxide Catalysts." Applied Catalysis A, General 332(2):263-272. doi:10.1016/j.apcata.2007.08.024

Chou TP, Q Zhang, R Bryan, GE Fryxell, and G Cao. 2007. "Titania Particle Size Effect on the Overall Performance of Dye-Sensitized Solar Cells." Journal of Physical Chemistry C 111(17):6296-6302. doi:10.1021/jp068939f

Deskins NA, and M Dupuis. 2007. "Electron Transport via Polaron Hopping in Bulk TiO₂: a density functional theory characterization." Physical Review. B, Condensed Matter and Materials Physics 75(19):458-467. doi:10.1103/PhysRevB.75.195212

Deskins NA, SN Kerisit, KM Rosso, and M Dupuis. 2007. "Molecular Dynamics Characterization of Rutile-Anatase Interfaces." Journal of Physical Chemistry C 111(26):9290-9298. doi:10.1021/jp0713211

Devanathan R, A Venkatnathan, and M Dupuis. 2007. "Atomistic Simulation of Nafion Membrane: I. Effect of Hydration on Membrane Nanostructure." Journal of Physical Chemistry B 111:8069-8079. doi:10.1021/jp0726992

Devanathan R, A Venkatnathan, and M Dupuis. 2007. "Atomistic Simulation of Nafion Membrane: 2. Dynamics of Water Molecules and Hydronium Ions." Journal of Physical Chemistry B 111:13006-13013. doi:10.1021/jp0761057

Droubay TC, KM Rosso, SM Heald, DE Mccready, CM Wang, and SA Chambers. 2007. -Fe2O3 Hematite: Experiment and density functional theory calculations."?"Structure, Magnetism and Conductivity in Epitaxial Ti-doped Physical Review. B, Condensed Matter and Materials Physics 75(10):, doi:10.1103/PhysRevB.75.104412

Egbert JD, RM Bullock, and DM Heinekey. 2007. "Cationic Dihydrogen/Dihydride Complexes of Osmium: Structure and Dynamics." Organometallics 26(9):2291-2295. doi:10.1021/om0700718

Elliott DC. 2007. "Historical Developments in Hydroprocessing Bio-oils." Energy and Fuels 21(3):1792-1815. doi:10.1021/ef070044u

Feaver AM, P shamberger, G Cao, AC Stowe, and T Autrey. 2007. "Coherent Carbon Cryogel-Ammonia Borane Nanocomposites for Improved Hydrogen Storage." Journal of Physical Chemistry B 111(26):7469-7472.

Exarhos GJ, CF Windisch, Jr, KF Ferris, and RR Owings. 2007. "Cation Defects and Conductivity in Transparent Oxides." Applied Physics A, Materials Science and Processing 89(1):9-18. doi:10.1007/s00339-007-4040-7

Ferris KF, LM Peurrung, and JM Marder. 2007. "Materials Informatics: Fast Track to New Materials ." Advanced Materials & Processes 165(1):50-51.

Flaherty DW, Z Dohnalek, A Dohnalkova, BW Arey, DE McCready, N Ponnusany, C Mullins, and BD Kay. 2007. "Reactive Ballistic Deposition of Porous TiO₂ Films: Growth and Characterization." Journal of Physical Chemistry C 111(12):4765-4773. doi:10.1021/jp067641m

Fraze K, A Wilson, AM Appel, MC DuBois, and DL DuBois. 2007. "Thermodynamic Properties of the Ni-H Bond in Complexes of the Type [HNi(P2RN2R')2](BF4) and Evaluation of Factors that Control Catalytic Activity for Hydrogen Oxidation/Production." Organometallics 26(16):3918-3924. doi:10.1021/om070143v

Fryxell GE, SV Mattigod, Y Lin, H Wu, SK Fiskum, KE Parker, F Zheng, W Yantasee, TS Zemanian, RS Addleman, J Liu, J Xu, KM Kemner, S Kelly, and X Feng. 2007. "Design and Synthesis of Self-Assembled Monolayers on Mesoporous Supports (SAMMS): The Importance of Ligand Posture in Functional Nanomaterials." Journal of Materials Chemistry 17:2863-2874. doi:10.1039/b702422c

Fulton JL, JC Linehan, T Autrey, M Balasubramanian, Y Chen, and NK Szymczak. 2007. "When is a Nanoparticle a Cluster? An Operando EXAFS Study of Amine Borane Dehydrocoupling by Rh4-6 Clusters." Journal of the American Chemical Society 129(39):11936-11949. doi:10.1021/ja073331

Gu X, S Bulusu, X Li, X Zeng, J Li, XG Gong, and LS Wang. 2007. "Au34-: A Fluxional Core-Shell Cluster." Journal of Physical Chemistry C 111(23):8228-8232. doi:10.1021/jp071960b

Gunaydin-Sen O, R Achey, NS Dalal, AC Stowe, and T Autrey. 2007. "High Resolution 15N NMR of the 225 K Phase Transition of Ammonia Borane (NH3BH3): Mixed Order-Disorder and Displacive Behavior." Journal of Physical Chemistry B 111(4):677-681. doi:10.1021/jp0649347

Hays J, KM Reddy, NY Graces, MH Engelhard, V Shutthanandan, M Luo, C Xu, NC Giles, CM Wang, S Thevuthasan, and A Punnoose. 2007. "Effect of Co Doping on the Structural, Optical and Magnetic Properties of ZnO Nanoparticles." Journal of Physics. Condensed Matter 19(26):Art. No. 266203. doi:10.1088/0953-8984/19/26/266203

Holladay JD, KP Brooks, RS Wegeng, J Hu, J Sanders, and S Baird. 2007. "Microreactor Development for Martian In-Situ Propellant Production ." Catalysis Today 120(1):35-44. doi:doi:10.1016/j.cattod.2006.07.019

Hu J, KP Brooks, JD Holladay, and D Howe. 2007. "Catalyst Development for Microchannel Reactors for Martian In Situ Propellant Production." Energy and Fuels 125(1-2):103-110.

Hu J, Y Wang, C Cao, DC Elliott, DJ Stevens, and JF White. 2007. "Conversion of Biomass-Derived Syngas to Alcohols and C2 Oxygenates Using Supported Rh Catalysts in a Microchannel Reactor." Catalysis Today 120(1):90-95. doi:10.1016/j.cattod.2006.07.006

Jaffe JE, RA Bachorz, and MS Gutowski. 2007. "BAnd offset and magnetic property engineering for epitaxial interfaces: a Monolayer of M2O3 (M=Al, Ga, Sc, Ti, Ni) at the alpha-Fe203/alpha-Cr203 (0001) Interface." Physical Review. B, Condensed Matter and Materials Physics 75(20):205323. doi:10.1103/PhysRevB.75.205323

Johnson BR, NL Canfield, DN Tran, RA Dagle, XS Li, JD Holladay, and Y Wang. 2007. "Engineered SMR Catalysts Based on Hydrothermally Stable, Porous, Ceramic Supports for Microchannel Reactors." Catalysis Today 120(1):54-62. DOI: 10.1016/j.cattod.2006.07.056

Joly AG, G Xiong, CM Wang, DE McCready, KM Beck, and WP Hess. 2007. "Synthesis and Photoexcited Charge Carrier Dynamics of beta-FeOOH Nanorods." Applied Physics Letters 90(10):Art. No. 103503.

Kerisit SN and KM Rosso. 2007. "Kinetic Monte Carlo Model of Charge Transport in Hematite (a-Fe2O3)." Journal of Chemical Physics 127(12): Art. No. 124706. doi:10.1063/1.2768522

Kerisit SN, KM Rosso, M Dupuis, and M Valiev. 2007. "Molecular Computational Investigation of Electron Transfer Kinetics across Cytochrome-Iron Oxide Interfaces." Journal of Physical Chemistry C 111(30):11363-11375.

Kim D, J Kwak, J Szanyi, SD Burton, and CHF Peden. 2007. "Water-induced Bulk Ba(NO3)2 Formation From NO2 Exposed Thermally Aged BaO/Al2O3." Applied Catalysis. B, Environmental 72(3-4):233-239.

Kim D, Y Chin, GG Muntean, A Yezerets, N Currier, WS Epling, H Chen, H. Hess, and CHF Peden. 2007. "Design of a reaction protocol for decoupling sulfur removal and thermal aging effects during desulfation of Pt-BaO/Al2O3 lean NOx trap catalysts." Industrial and Engineering Chemistry Research 46(9):2735-2740. doi:10.1021/ie061542d

Kim J, O Bondarchuk, BD Kay, JM White, and Z Dohnalek. 2007. "Preparation and Characterization of Monodispersed WO3 Nanoclusters on TiO2(110)." Catalysis Today 120(2):186-195. doi:10.1016/j.cattod.2006.07.050

Kim M, J Kim, J Lee, H Jia, H Na, J Youn, J Kwak, A Dohnalkova, JW Grate, P Wang, T Hyeon, H Park, and H Chang. 2007. "Crosslinked Enzyme Aggregates in Hierarchically-Ordered Mesoporous Silica: A Simple and Effective Method for Enzyme Stabilization." Biotechnology and Bioenegineering 96(2):210-218. doi:10.1002/bit.21107

Kim YK, BD Kay, JM White, and Z Dohnálek. 2007. "Inductive Effect of Alkyl Chains on Alcohol Dehydration at Bridge-bonded Oxygen Vacancies of TiO2(110)." Catalysis Letters 119(1-2):1-4.

Kimmel GA, NG Petrik, Z Dohnalek, and BD Kay. 2007. "Crystalline Ice Growth on Pt(111) and Pd(111): Nonwetting Growth on a Hydrophobic Water Monolayer." Journal of Chemical Physics 126(11):Art. No. 114702.

Kwak JH, J Hu, D Kim, J Szanyi, and CHF Peden. 2007. "Penta-Coordinated Al3+ iIns as Preferential Nucleation Sites for BaO on ?-Al2O3: An Ultra-high Magnetic Field 27Al MAS NMR Study." Journal of Catalysis 251(2):189-194. doi:10.1016/j.jcat.2007.06.029

Lane CD, NG Petrik, TM Orlando, and GA Kimmel. 2007. "Electron-Stimulated Oxidation of Thin Water Films Adsorbed on TiO2(110)." Journal of Physical Chemistry C 111(44):16319-16329.

Lei C, Y Shin, J Liu, and EJ Ackerman. 2007. "Synergetic Effects of Nanoporous Support and Urea on Enzyme Activity." Nano Letters 7(4):1050-53. doi:10.1021/nl070255b

Li J, SM Kathmann, GK Schenter, and MS Gutowski. 2007. "Isomers and Conformers of H(NH2BH2)(n)H Oligomers: Understanding the Geometries and Electronic Structure of Boron-Nitrogen-Hydrogen Compounds as Potential Hydrogen Storage Materials." Journal of Physical Chemistry C 111(8):3294-3299. doi:10.1021/jp066360b

Li XS, GE Fryxell, CM Wang, and JA Young. 2007. "Templating Mesoporous Hierarchies in Silica Thin Films Using the Thermal Degradation of Cellulose Nitrate." Microporous and Mesoporous Materials 99(3):308-318.

Li XS, GE Fryxell, MH Engelhard, and CM Wang. 2007. "The Synthesis of Cadmium Doped Mesoporous TiO2." Inorganic Chemistry Communications 10(6):639-641. doi:10.1016/j.inoche.2007.02.018

Lu C, J Hu, JH Kwak, Z Yang, R Ren, T Markmaitree, and LL Shaw. 2007. "Study the Effects of Mechanical Activation on Li-N-H Systems With 1H and 6Li Solid-State NMR." Journal of Power Sources 170(2):419-424. doi:10.1016/j.jpowsour.2007.02.080

Lyubinetsky IV, Z Yu, and MA Henderson. 2007. "Direct Observation of Adsorption Evolution and Bonding Configuration of TMAA on TiO2(110)." Journal of Physical Chemistry C 111(11):4342-4346. doi:10.1021/jp067264d

Marina OA, LR Pederson, MC Williams, GW Coffey, KD Meinhardt, CD Nguyen, and EC Thomsen. 2007. "Electrode Performance in Reversible Solid Oxide Fuel Cells." Journal of the Electrochemical Society 154(5):B452-B459.

Mazzarello R, A Cossaro, A Verdini, R Rousseau, L Casalis, MF Danisman, L Floreano, S Scandolo, A Morgante, and G Scoles. 2007. "Structure of a CH3S Monolayer on Au(111) Solved by the Interplay Between Molecular Dynamics Calculations and Diffraction Measurement." Physical Review Letters 98(1): Art. No. 016102.

Mei D, NA Deskins, and M Dupuis. 2007. "A Density Functional Theory Study of Formaldehyde Adsorption on Ceria." Surface Science 601(21):4993-5001. doi:10.1016/j.susc.2007.08.027

Pawsey S, IL Moudrakovski, JA Ripmeester, LQ Wang, GJ Exarhos, JL Rowsell, and OM Yaghi. 2007. "Hyperpolarized 129Xe Nuclear Magnetic Resonance Studies of Isoreticular Metal-Organic Frameworks." Journal of Physical Chemistry 11(16):6060-6067. doi:10.1021/jp0668246

Petrik NG and GA Kimmel. 2007. "Hydrogen Bonding, H-D Exchange, and Molecular Mobility in Thin Water Films on TiO2(110)" Physical Review Letters 99: Art. No. 196103.

Ramana CV, VV Atuchin, VG Kesler, VA Kochubey, LD Pokrovsky, V Shutthanandan, U Becker, and RC Ewing. 2007. "Growth and surface characterization of sputter-deposited molybdenum oxide thin films." Applied Surface Science 253(12):5368-5374.

Shin Y, CM Wang, WD Samuels, and GJ Exarhos. 2007. "Synthesis of SiC nanorods from bleached wood pulp." Materials Letters 61(13):2814-2817. doi:10.1016/j.matlet.2006.10.035

Redin K, A Wilson, R Newell, MR DuBois, and DL DuBois. 2007. "Studies of Structural Effects on the Half-Wave Potentials of Mononuclear and Dinuclear Nickel(II) Diphosphine/Dithiolate Complexes." Inorganic Chemistry 46(4):1268-1276. doi:10.1021/ic061740x

Saraf LV, MH Engelhard, CM Wang, AS Lea, DE McCready, V Shutthanandan, DR Baer, and SA Chambers. 2007. "Metalorganic chemical vapor deposition of carbon-free ZnO using the bis(2,2,6,6 tetramethyl-3,5-heptanedionato)zinc precursor." Journal of Materials Research 22(5):1230-1234. doi:10.1557/JMR.2007.0146

Saraf LV, MH Engelhard, P Nachimuthu, V Shutthanandan, CM Wang, SM Heald, DE McCready, AS Lea, DR Baer, and SA Chambers. 2007. "Nucleation and Growth of MOCVD Grown (Cr, Zn)O Films – Uniform Doping vs. Secondary Phase Formation." Journal of the Electrochemical Society 154(3):D134-D138. doi:10.1149/1.2424422

Shao R, CM Wang, DE McCready, TC Droubay, and SA Chambers. 2007. "Growth and structure of MBE grown TiO2 anatase films with rutile nano-crystallites ." Surface Science 601(6):1582-1589. doi:10.1016/j.susc.2007.01.039

Shin Y, and GJ Exarhos. 2007. "Template synthesis of porous titania using cellulose nanocrystals." Materials Letters 61(11-12):2594-2597. doi:10.1016/j.matlet.2006.10.005

Shin Y, BW Arey, CM Wang, XS Li, MH Engelhard, and GE Fryxell. 2007. "Synthesis and Characterization of Phosphate-coated Mesoporous Titania and Cd-doping of Same via Ion-Exchange." Inorganic Chemistry Communications 10(6):642-645. doi:10.1016/j.inoche.2007.02.016

Shin Y, CM Wang, WD Samuels, and GJ Exarhos. 2007. "Synthesis of SiC nanorods from bleached wood pulp." Materials Letters 61(13):2814-2817. doi:10.1016/j.matlet.2006.10.035

Shin Y, I Bae, BW Arey, and GJ Exarhos. 2007. "Simple preparation and stabilization of nickel nanocrystals on cellulose nanocrystal." Materials Letters 64(14-15):3215-3217.

Stowe AC, WJ Shaw, JC Linehan, B Schmid, and T Autrey. 2007. "In situ solid state B-11 MAS-NMR studies of the thermal decomposition of ammonia borane: mechanistic studies of the hydrogen release pathways from a solid state hydrogen storage material." Physical Chemistry Chemical Physics. PCCP 9(15):1831-1836. doi:10.1039/b617781f

Szanyi J, J Kwak, D Kim, X Wang, J Hanson, RJ Chimentao, and CHF Peden. 2007. "Water-induced morphology changes in BaO/γ-Al2O3 NOx storage materials." Chemical Communications 2007(9):984-986. doi:10.1039/b613674e

Szanyi J, J Kwak, D Kim, X Wang, RJ Chimentao, J Hanson, WS Epling, and CHF Peden. 2007. "Water-induced morphology changes in BaO/γ-Al2O3 NOx storage materials: an FTIR, TPD, and time-resolved synchrotron XRD study." Journal of Physical Chemistry C 111(12):4678-4687. doi:10.1021/jp067932v

Szanyi J, J Kwak, RJ Chimentao, and CHF Peden. 2007. "The effect of H2O on the adsorption of NO2 on γ-Al2O3: an in situ FTIR/MS study." Journal of Physical Chemistry C 111(6):2661-2669. doi:10.1021/jp066326x

Um W, SV Mattigod, RJ Serne, GE Fryxell, D Kim, and LD Troyer. 2007. "Synthesis of nanoporous zirconium oxophosphate and application for removal of U(VI)." Water Research 41(15):3217-3226.

Vander Wal RL, A Yezerets, N Currier, D Kim, and CM Wang. 2007. "HRTEM Study of Diesel Soot Collected from Diesel Particulate Filters." Carbon 45(1):70-77. doi:10.1016/j.carbon.2006.08.005

Venkatnathan A, R Devanathan, and M Dupuis. 2007. "Atomistic Simulations of Hydrated Nafion and Temperature Effects on Hydronium Ion Mobility." Journal of Physical Chemistry B 111(25):7234-7244. doi:10.1021/jp0700276

Wang CM, DR Baer, JE Amonette, MH Engelhard, Y Qiang, and J Antony. 2007. "Morphology and Oxide Shell Structure of Iron Nanoparticles Grown by Sputter-Gas-Aggregation." Nanotechnology 18(25):Art. No. 255603. doi:10.1088/0957-4484/18/25/255603

Wang LQ, GJ Exarhos, CF Windisch, Jr, C Yao, LR Pederson, and X Zhou. 2007. "Probing hydrogen in ZnO nanorods using solid-state H-1 nuclear magnetic resonance." Applied Physics Letters 90(17):315-317.

Wang Y and DL King. 2007. "Preface." Catalysis Today 120(1):1.

Wang Y, K Lee, S Choi, J Liu, LQ Wang, and CHF Peden. 2007. "Grafting Sulfated Zirconia on Mesoporous Silica." Green Chemistry: An International Journal and Green Chemistry Resource:GC 9(6):540-544. doi:10.1039/b614928f

Wei W, SL Parker, Y Sun, JM White, G Xiong, AG Joly, KM Beck, and WP Hess. 2007. "Study of Copper Diffusion Through Ruthenium Thin Film by Photoemission Electron Microscopy." Applied Physics Letters 90:111906. doi:10.1063/1.2712832

Wilson A, RK Shoemaker, A Miedaner, JT Muckerman, DL DuBois, and MR DuBois. 2007. "Nature of Hydrogen Interactions with Ni(II) Complexes Containing Cyclic Phosphine Ligands with Pendant Nitrogen Bases ." Proceedings of the National Academy of Sciences of the United States of America 104(17):6951-6956. doi:10.1073/pnas.0608928104

Windisch CF, Jr, GJ Exarhos, C Yao, and LQ Wang. 2007. "Raman Study of the Influence of Hydrogen on Defects in ZnO." Journal of Applied Physics 101(12): Art. No. 123711.

Wu F, VK Dioumaev, DJ Szalda, J Hanson, and RM Bullock. 2007. "A Tungsten Complex with a Bidentate, Hemilabile N-Heterocyclic Carbene Ligand, Facile Displacement of the Weakly Bound W-(C=C) Bond, and the Vulnerability of the NHC Ligand Toward Catalyst Deactivation During Ketone Hydrogenation." Organometallics 26(20):5079-5090. doi:10.1021/om700694e

Xiong G, R Shao, TC Droubay, AG Joly, KM Beck, SA Chambers, and WP Hess. 2007. "Photoemission Electron Microscopy of TiO2 Anatase Films Embedded with Rutile Nanocrystals." Advanced Functional Materials 17(13):2133-2138. doi:10.1002/adfm.200700146

Yang JY and DG Nocera. 2007. "Catalase and Epoxidation Activity of Manganese Salen Complexes Bearing Two Xanthene Scaffolds." Journal of the American Chemical Society 129:8192-8198.

Yao C, Y Shin, LQ Wang, CF Windisch, JR, WD Samuels, BW Arey, CM Wang, WM Risen Jr., and GJ Exarhos. 2007. "Hydrothermal Dehydration of Aqueous Fructose Solutions in a Closed System." Journal of Physical Chemistry C 111(42):15141-14145.

Yi C, JH Kwak, CHF Peden, CM Wang, and J Szanyi. 2007. "Understanding Practical Catalysts Using a Surface Science Approach: The Importance of Strong Interaction between BaO and Al2O3 in NOx Storage Materials." Journal of Physical Chemistry C 111(41):14942-14944. doi:10.1021/jp0763376

Yu Z, CM Wang, MH Engelhard, P Nachimuthu, DE McCready, IV Lyubinetsky, and S Thevuthasan. 2007. "Epitaxial Growth and Microstructure of Cu2O Nanoparticle/thin Films on SrTiO3(100)." Nanotechnology 18:Art. No. 115601. doi:10.1088/0957-4484/18/11/115601

Zhang Z, O Bondarchuk, BD Kay, JM White, and Z Dohnalek. 2007. "Direct Visualization of 2-Butanol Adsorption and Dissociation on TiO2(110)." Journal of Physical Chemistry C 111(7):3021-3027. doi:10.1021/jp067461c

Zhang Z, Q Ge, S-C Li, BD Kay, JM White, and Z Dohnálek. 2007. "Imaging Intrinsic Diffusion of Bridge-bonded Oxygen Vacancies on TiO2(110)." Physical Review Letters 99: Art. No. 126105.

Zhao H, JE Holladay, HM Brown, and C Zhang. 2007. "Metal Chlorides in Ionic Liquid Solvents Convert Sugars to 5-Hydroxymethylfurfural." Science 316(5831):1597-1600. doi:10.1126/science.1141199

Zhao H, JE Holladay, J Kwak, and C Zhang. 2007. "Inverse Temperature-Dependent Pathway of Cellulose Decrystallization in Trifluoroacetic Acid." Journal of Physical Chemistry B 111(19):5295-5300. doi:10.1021/jp070253f

Zhao H, J Kwak, C Zhang, HM Brown, BW Arey, and JE Holladay. 2007. "Studying cellulose fiber structure by SEM, XRD, NMR and acid hydrolysis." Carbohydrate Polymers 68(2):235-241. doi:10.1016/j.carbpol.2006.12.013

Zhao H, J Kwak, Y Wang, JA Franz, JM White, and JE Holladay. 2007. "Interactions Between Cellulose and N-Methylmorpholine-N-Oxide." Carbohydrate Polymers 67(1):97-103. doi:10.1016/j.carbpol.2006.04.019

Zubarev DY, AI Boldyrev, J Li, H Zhai, and LS Wang. 2007. "On The Chemical Bonding of Gold In Auro-Boron Oxide Clusters AunBO-(n=1-3)." Journal of Physical Chemistry A 111(9):1648-1658. doi:10.1021/jp0657437

Zubarev DY, BB Averkiev, H-J Zhai, L-S Wang, and AI Boldyrev. 2007. “Armaticity and Antiaromaticity in Transition-Metal Systems.” Physical Chemistry Chemical Physics doi:10.1039/b713646c. Accessed 12/19/07 at http://www.rsc.org/Publishing/Journals/CP/article.asp?doi=b713646c

Zubkov T, RS Smith, TR Engstrom, and BD Kay. 2007. "Adsorption, Desorption and Diffusuion of Nitrogen in a Model Nanoporous Material: I. Surface Limited Desorption Kinetics in Amorphous Solid Water." Journal of Chemical Physics 127: Art. No.184707.

Zubkov T, RS Smith, TR Engstrom, and BD Kay. 2007. "Adsorption, Desorption and Diffusuion of Nitrogen in a Model Nanoporous Material: II. Diffusion Limited Kinetics in Amorphous Solid Water." Journal of Chemical Physics 127: Art. No. 184708.

2006

Antony J, Y Qiang, DR Baer, and CM Wang. 2006. "Synthesis and Characterization of Stable Iron–Iron Oxide Core–Shell Nanoclusters for Environmental Applications." Journal of Nanoscience and Nanotechnology 6(2):568-572. doi:10.1166/jnn.2006.074

Bertino MF, Z Sun, R Zhang, and LS Wang. 2006. "Facile Syntheses of Monodisperse Ultra-Small Au Clusters." Journal of Physical Chemistry B 110(43):21416-21418. doi:10.1021/jp065227g

Brown C, T Jacques, NJ Hess, LL Daemen, E Mamontov, JC Linehan, AC Stowe, and T Autrey. 2006. "Dynamics of Ammonia Borane Using Neutron Scattering." Physica B Condensed Matter 385(Pt.1 ):266-268.

Chambers SA. 2006. "Ferromagnetism in Doped Thin-Film Oxide and Nitride Semiconductors and Dielectrics." Surface Science Reports 61(8):345-381. doi:10.1016/j.surfrep.2006.05.001

Chambers SA, TC Droubay, CM Wang, KM Rosso, SM Heald, SA Schwartz, KR Kittilstved, and DR Gamelin. 2006. "Ferromagnetism in Oxide Semiconductors ." Materials Today 9(11):28-35.

Chin Y, DL King, H Roh, Y Wang, and S Heald. 2006. "Structure and Reactivity Investigations on Supported Bimetallic Au-Ni Catalysts Used for Hydrocarbon Steam Reforming." Journal of Catalysis 244(2):153-162.

Cui L, X Li, and LS Wang. 2006. "Photoelectron Spectroscopy of AInD-2 (n=3-15): Observation of Chemisorption and Physisorption of Dideuterium on Aluminum Cluster Anions." Journal of Chemical Physics 124(5):article no. 054308.

Disselkamp RS, RG Tonkyn, Y Chin, and CH Peden. 2006. "Developing Multiple-Site Kinetic Models in Catalysis Simulation: A Case Study of O2+2NO ↔ 2 NO2 Oxidation-Reduction Chemistry on Pt(100) Catalyst Crystal Facets." Journal of Catalysis 238(1):1-5. doi:10.1016/j.jcat.2005.11.031

Dohnalek Z, J Kim, and BD Kay. 2006. "Growth of Epitaxial Thin Pd(111) Films on Pt(111) and Oxygen-Terminated FeO(111) Surfaces." Surface Science 600(17):3461-3471. doi:10.1016/j.susc.2006.06.036

DC Elliott, GG Neuenschwander, TR Hart, J Hu, AE Solana, and C Cao. 2006. "Hydrogenation of bio-oil for chemical and fuel production." Science in Thermal and Chemical Biomass Conversion, AV Bridgwater and DGB Boocock, eds., pp. 1536-1546, CPL Press, Newbury Berks, UK.

DC Elliott, TR Hart, and GG Neuenschwander. 2006. "Chemical Processing in High-Pressure Aqueous Environments. 8. Improved Catalysts for Hydrothermal Gasification." Industrial and Engineering Chemistry Research 45:3776–3781.

Fishback M, J Youn, X Zhao, P Wang, H Park, H Chang, J Kim, and S Ha. 2006. "Miniature Biofuel Cells with Improved Stability under Continuous Operation." Electroanalysis 18(19-20):2016-2022. doi:10.1002/elan.200603626.

Fryxell GE. 2006. "The Synthesis of Functional Mesoporous Materials." Inorganic Chemistry Communications 9(11):1141-1150.

Fulton JL, DW Matson, KH Pecher, JE Amonette, and JC Linehan. 2006. "Metal-based Nanoparticle Synthesis from the Rapid Expansion of Carbon Dioxide Solutions." Journal of Nanoscience and Nanotechnology 6(2):562-567.

Gibbs GV, D Jayatilaka, MA Spackman, DF Cox, and KM Rosso. 2006. "Si-O Bonded Interactions in Silicate Crystals and Molecules: A Comparison." Journal of Physical Chemistry A 110(46):12678-12683.

Gibbs GV, MA Spackman, D Jayatilaka, KM Rosso, and DF Cox. 2006. "Bond Length and Local Energy Density Property Connections for Non-transition- Metal-Oxide-Bonded Interactions." Journal of Physical Chemistry A 110(44):12259-12266. doi:10.1021/jp062992m.

Herrera JE, J Kwak, J Hu, Y Wang, and CH Peden. 2006. "Synthesis of Nanodispersed Oxides of Vanadium, Titanium, Molybdenum, and Tungsten on Mesoporous Silica using Atomic Layer Deposition." Topics in Catalysis 39(3-4):245-255. doi:10.1007/s11244-006-0063-0.

Huang X and DL King. 2006. "Gas-Phase Hydrodesulfurization of JP-8 Light Fraction Using Steam Reformate." Industrial and Engineering Chemistry Research 45(21):7050-7056.

Kim D, Y Chin, GG Muntean, A Yezerets, N Currier, WS Epling, H Chen, H. Hess, and CH Peden. 2006. "Relationship of Pt Particle Size with the NOx Storage Performance of Thermally Aged Pt/BaO/Al2O3 Lean NOx Trap Catalysts." Industrial and Engineering Chemistry Research 45(26):8815-8821. doi:10.1021/ie060736q

Kim J, Lee JE, Lee J, Yu JH, Kim BC, An K, Hwang Y, Shin CH, Park JG, Kim J, and Hyeon T. 2006. "Magnetic Fluorescent Delivery Vehicles using Uniform Mesoporous Silica Spheres Embedded with Monodisperse Magnetic and Semiconductor Nanocrystals", J. Am. Chem. Soc. 128, 688-689.

Kim J, Grate JW, and Wang P. 2006. "Nanostructures for Enzyme Stabilization", Chem. Eng. Sci. 61, 1017-1026.

Kim J, Jia H, and Wang P. "Challenges in Biocatalysis for Enzyme-based Biofuel Cells", Biotechnol. Adv. (in press).

Kim J, Jia H, Lee C, Chung SW, Kwak JH, Shin Y, Dohnalkova A, Kim BG, Wang P, and Grate JW. "Single Enzyme Nanoparticles in Nanoporous Silica: A Hierarchical Approach to Enzyme Stabilization and Immobilization", Enz. Microb. Technol. (accepted).

Kugai J, V Subramani, C Song, MH Engelhard, and Y Chin. 2006. "Effects of Nanocrystalline CeO2 Supports on the Properties and Performance of Ni-Rh Bimetallic Catalyst for Oxidative Steam Reforming of Ethanol." Journal of Catalysis 238(2):430-440. doi:10.1016/j.jcat.2006.01.001

Kwak J, D Kim, T Szailer, CH Peden, and J Szanyi. 2006. "NOx Uptake Mechanism on Pt/BaO/Al2O3 Catalysts." Catalysis Letters 111(3-4):119-126.

Kwak J, JE Herrera, J Hu, Y Wang, and CH Peden. 2006. "A New Class of Highly Dispersed VOx Catalysts on Mesoporous Silica: Synthesis, Characterization, and Catalytic Activity in the Partial Oxidation of Ethanol." Applied Catalysis. A, General 300(2):109-119.

Li XS, GE Fryxell, CM Wang, and JS Young. 2006. "Nitrocellulose Templated Hierarchical Pore Structure in Mesoporous Thin Films." Inorganic Chemistry Communications 9(1):7-9.

Linehan JC, CM Stiff, and GE Fryxell. 2006. "A Simple Determination of Alkylsilane Monolayer Population Density." Inorganic Chemistry Communications 9(2):239-241.

Minard KR, VV Vishwanathan, PD Majors, LQ Wang, and PC Rieke. 2006. "Magnetic Resonance Imaging (MRI) of PEM Dehydration and Gas Manifold Flooding During Continuous Fuel Cell Operation." Journal of Power Sources 161(2):856-863.

Ozensoy E, CHF Peden, and J Szanyi. 2006. "Model NOx storage systems: Storage capacity and thermal aging of BaO/theta- Al2O3/NiAl(100)." Journal of Catalysis 243(1):149-157. doi:10.1016/j.jcat.2006.06.028

Pan D, NA Klymyshyn, D Hu, and HP Lu. 2006. "Tip-Enhanced Near-Field Raman Spectroscopy Probing Single Dye-Sensitized TiO2 Nanoparticles." Applied Physics Letters 88(9):Art. No. 093121.

Robbins MD, and MA Henderson. 2006. "The Partial Oxidation of Isobutene and Propene on TiO2(110)." Journal of Catalysis 238(1):111-121. doi:10.1016/j.jcat.2005.11.041

Szanyi J, J Kwak, SD Burton, JA Rodriguez, and CH Peden. 2006. "Characterization of NOx Species in Dehydrated and Hydrated Na- and Ba-Y, FAU Zeolites Formed in NO2 Adsorption." Journal of Electron Spectroscopy and Related Phenomena 150(2-3):164-170. doi:10.1016/j.elspec.2005.05.007

Tait SL, Jr., Z Dohnalek, CT Campbell, and BD Kay. 2006. "n-alkanes on Pt(111) and on C(0001)/Pt(111): Chain Length Dependence of Kinetic Desorption Parameters." Journal of Chemical Physics 125(23):Art. No. 234308. doi:10.1063/1.2400235

Wang CM, V Shutthanadan, Y Zhang, S Thevuthasan, LE Thomas, WJ Weber, and G Duscher. 2006. "Atomic Level Imaging of Au Nanocluster Dispersed in TiO2 and SrTiO3." Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 242(1-2):380-382. doi:10.1016/j.nimb.2005.08.144

Wang D, J Liu, Q Huo, Z Nie, W Lu, RE Williford, and Y Jiang. 2006. "Surface-Mediated Growth of Transparent, Oriented, and Well-Defined Nanocrystalline Anatase Titania Films ." Journal of the American Chemical Society 128(42):13670-13671. doi:10.1021/ja0655993

Waters T, X Huang, XB Wang, HK Woo, RAJ O'Hair, AG Wedd, and LS Wang. 2006. "Photoelectron Spectroscopy of Free Multiply Charged Keggin Anions α-[PM12O40]3- (M = Mo, W) in the Gas Phase." Journal of Physical Chemistry A 110(37):10737-10741.

Weil KS, J Kim, G Xia, JE Coleman, and Z Yang. 2006. "Boronization of Nickel and Nickel-Clad Materials for Potential Use in Polymer Electrolyte Membrane Fuel Cells." Surface & Coatings Technology 201(7):4436-4441.

Xiong G, AG Joly, KM Beck, and WP Hess. 2006. "Laser-Induced Oxygen Vacancy Formation and Diffusion on TiO2(110) Surfaces Probed by Photoemission Electron Microscopy." Physica Status Solidi. C 3(10):3598-3602.

Yang Z, G Xia, and JW Stevenson. 2006. "Evaluation of Ni-Cr-Base Alloys for SOFC Interconnect Applications." Journal of Power Sources 160(2):1104-1110.

Yang Z, GG Xia, GD Maupin, and JW Stevenson. 2006. "Conductive Protection Layers on Oxidation- Resistant Alloys for SOFC Interconnect Applications." Surface & Coatings Technology 201(7):4476-4483.

Zhang Z, O Bondarchuk, BD Kay, JM White, and Z Dohnalek. 2006. "Imaging Water Dissociation on TiO2(110): Evidence for Inequivalent Geminate OH Groups." Journal of Physical Chemistry B 110(43):21840-21845. doi:10.1021/jp063619h

Zhao H, J Kwak, Y Wang, JA Franz, JM White, and JE Holladay. 2006. "Effects of Crystallinity on Dilute Acid Hydrolysis of Cellulose by Cellulose Ball-milling Study." Energy and Fuels (20):807-811.

Zhao H, RG Tonkyn, SE Barlow, CH Peden, and BE Koel. 2006. "Fractional Factorial Study of HCN Removal Over a 0.5% Pt/Al2O3 Catalyst: Effects of Temperature, Gas Flow Rate, and Reactant Partial Pressure." Industrial and Engineering Chemistry Research 45(3):934-939. doi:10.21/ie048777e

Zhou X, J Yang, EC Thomsen, Q Cai, BJ Scarfino, Z Nie, GW Coffey, WJ James, WB Yelon, HU Anderson, and LR Pederson. 2006. "Electrical, Thermoelectric, and Structural Properties of La(MxFe1-x)O3 (M=Mn, Ni, Cu)." Journal of the Electrochemical Society 153(12):J133-J138 .

2005

Pacific Northwest National Laboratory. 2005. Recommendations for a National Catalysis Research Institute: Advanced Resources for Catalysis Science (workshop summary), Pacific Northwest National Laboratory, Richland, WA.

Allen PJ, BR Johnson, and BJ Riley. 2005. "Photo-oxidation of Thermally Evaporated As2S3 Thin Films." Journal of Optoelectronics and Advanced Materials 7(4):1759-1764

Azad S, OA Marina, CM Wang, LV Saraf, V Shutthanandan, DE McCready, A El-Azab, JE Jaffe, MH Engelhard, CH Peden, and S Thevuthasan. 2005. "Nanoscale Effects on Ion Conductance of Layer-by-Layer Structures of Gadolinia-doped Ceria and Zirconia." Applied Physics Letters 86(13):131906-131909

Campbell CT, and CH Peden. 2005. "Chemistry - Oxygen Vacancies and Catalysis on Ceria Surfaces." Science 309(5735):713-714.

Cao C, Y Wang, JD Holladay, EO Jones, and DR Palo. 2005. "Design of Micro-Scale Fuel Processors Assisted By Numerical Modeling." AIChE Journal 51(3):982–988.

Cuan A, J Martinez-magadan, I Garcia-Cruz, and M Galvan. 2005. "DFT—Quantum Chemical Study of the HZSM-5-Cyclohexene Interaction Pathways." Journal of Molecular Catalysis. A, Chemical. 236(1-2):194-205.

Chambers SA, JR Williams, MA Henderson, AG Joly, M Varela, and SJ Pennycook. 2005. "Structure, Band Offsets and Photochemistry at Epitaxial α-Cr₂O₃/α-Fe₂O₃ Heterojunctions." Surface Science 587(3):L197-L207.

Chang JH, GJ Exarhos, and Y Shin. 2005. "Biomimetic Catalysis of Tailored Mesoporous Materials with the Self-Assembled Multifunctional Monolayers." Journal of Industrial & Engineering Chemistry 11(3):375-380.

Chen Y, JL Fulton, JC Linehan, and T Autrey. 2005. "In-situ XAFS and NMR Study of Rhodium Catalyzed Dehydrogenation of Dimethylamine Borane." Journal of the American Chemical Society 127(10):3254-3255.

Chen Y, JL Fulton, and W Partenheimer. 2005. "The structure of the homogeneous oxidation catalyst, Mn(II)-Br(-I)x, in supercritical water: An x-ray absorption fine structure study." Journal of the American Chemical Society 127(40):14085-14093.

Daschbach JL, Z Dohnalek, S Liu, RS Smith, and BD Kay. 2005. "Water Adsorption, Desorption, and Clustering on FeO(111)." Journal of Physical Chemistry B 109(20):10362-10370.

Disselkamp RS, TR Hart, AM Williams, JF White, and CH Peden. 2005. "Ultrasound-Assisted Hydrogenation of Cinnamaldehyde." Ultrasonics Sonochemistry 12(4):319–324.

Disselkamp RS, KM Denslow, TR Hart, JF White, and CH Peden. 2005. "The Effect of Cavitating Ultrasound on the Aqueous Phase Hydrogenation of Cis-2-buten-1-ol and Cis-2-penten-1-ol on Pd-black." Applied Catalysis. A, General 288(1-2):62-66.

Dixon DA, and MS Gutowski. 2005. "Thermodynamic Properties of Molecular Borane Amines and the [BH4-][NH4+] salt for Chemical Hydrogen Storage Systems from Ab Initio Electronic Structure Theory." Journal of Physical Chemistry A 109(23):5129-5135.

Droubay TC, SM Heald, V Shutthanandan, S Thevuthasan, SA Chambers, and J Osterwalder. 2005. "Cr-doped TiO₂ Anatase- A Ferromagnetic Insulator." Journal of Applied Physics 97:046103.

Gutowska A, L Li, Y Shin, CM Wang, XS Li, JC Linehan, RS Smith, BD Kay, BA Schmid, WJ Shaw, MS Gutowski, and T Autrey. 2005. "Nano-Scaffold Mediates Hydrogen Release and Reactivity of Ammonia Borane." Angewandte Chemie, International Edition 44(23):3578-3582.

Hamad S, CR Catlow, SM Woodley, S Lago, and JA Mejias. 2005. "Structure and Stability of Small TiO2 Nanoparticles ." Journal of Physical Chemistry B 109(33):15741 -15748.

Hays JS, A PUNNOOSE, R Baldner, MH Engelhard, J Peloquin, and KM Reddy. 2005. "Relationship between the structural and magnetic properties of Co-doped SnO2 nanoparticles." Physical Review. B, Condensed Matter and Materials Physics 72(7):518-524.

Henderson MA. 2005. "Photooxidation of Acetone on TiO₂ (110): Conversion to Acetate via Methyl Radical Ejection." Journal of Physical Chemistry B 109(24):12062-12070.

T. E. Herricks, S-H Kim, J. Kim, D Li, J. H. Kwak, J. W. Grate, S. H. Kim, and Y. Xia. 2005. "Direct Fabrication of Enzyme-Carrying Polymer Nanofibers by Electrospinning", J. Mater. Chem. 15, 3241-3245.

Hess WP, AG Joly, KM Beck, M Henyk, PV Sushko, PE Trevisanutto, and AL Shluger. 2005. "Laser Control of Desorption Through Selective Surface Excitation." Journal of Physical Chemistry B 109(2005):19563-19578.

Hu J, Y Wang, C Cao, DC Elliott, DJ Stevens, and JF White. 2005. "Conversion of Biomass Syngas to DME Using a Microchannel Reactor." Industrial and Engineering Chemistry Research 44(6):1722-1727.

Hu J, J Kwak, JE Herrera, Y Wang, and CH Peden. 2005. "Line Narrowing in H-1 MAS Spectrum of Mesoporous Silica by Removing Adsorbed H2O Using N-2." Solid State Nuclear Magnetic Resonance 27(3):200-205.

Iordanova NI, M Dupuis, and KM Rosso. 2005. "Charge Transport in Metal Oxides: A Theoretical Study of Hematite α-Cr₂O₃." Journal of Chemical Physics 122(14):144305.

Iordanova NI, M Dupuis, and KM Rosso. 2005. "Theoretical Characterization of Charge Transport in Chromia (α-Cr2O3)." Journal of Chemical Physics 123(7):074710 (1-11).

Jaffe JE, RA Bachorz, and MS Gutowski. 2005. "Low-temperature Polymorphs of ZrO2 and HfO2. A Density Functional Theory Study ." Journal of Physical Chemistry B 72(144107 (2005)):(9).

Jaffe JE, TC Droubay, and SA Chambers. 2005. "Oxygen Vacancies and Ferromagnetism in CoxTi₁-xO₂-x-y." Journal of Applied Physics 97(7):073908.

Ji M, X Gu, X Li, X Gong, J Li, and LS Wang. 2005. "Experimental and Theoretical Investigation of the Electronic and Geometrical Structures of the Special Au32 Cluster." Angewandte Chemie International Edition 44(43):7119-7123. doi:10.1002/anie.200502795

Jobson BT, ML Alexander, GD Maupin, and GG Muntean. 2005. "On-line Analysis of Organic Compounds in Diesel Exhaust Using a Proton Transfer Reaction Mass Spectrometer (PTR-MS)." International Journal of Mass Spectrometry 245(1-3):78-89.

Kaspar TC, TC Droubay, CM Wang, SM Heald, AS Lea, and SA Chambers. 2005. "Co-doped Anatase TiO₂ Heteroepitaxy on Si(001)." Journal of Applied Physics 97(7):073511-073511-10.

Kim J, Z Dohnalek, and BD Kay. 2005. "Cryogenic CO2 Formation on Oxidized Gold Clusters Synthesized via Reactive Layer Assisted Deposition." Journal of the American Chemical Society 127:14592.

Kim J, Z Dohnalek, and BD Kay. 2005. "Structural Characterization of Nanoporous Pd Films Grown Via Ballistic Deposition." Surface Science 586(1-3):137-145

J. Kim and J. W. Grate. 2005. "Nanobiotechnology in Using Enzymes for Environmental Remediation: Single Enzyme Nanoparticles", ACS Symposium Series Volume 890, Nanotechnology and the Environment: Applications and Implications, eds. B. Karn, T. Masciangioli, W. Zhang, V. Colvin, and P. Alivisatos, pp 220-225, American Chemical Society, Washington D.C.

J. Kim, J. Lee, H. B. Na, B. C. Kim, J. K. Youn, J. H. Kwak, K. Moon, E. Lee, J. Kim, J. Park, A. Dohnalkova, H. G. Park, M. B. Gu, H. N. Chang, J. W. Grate, and T. Hyeon. 2005. "Magnetically-separable and highly-stable enzyme system based on nanocomposites of enzymes and magnetic nanoparticles shipped in hierarchically ordered mesocellular mesoporous silica", Small 1, 1203-1207.

B. C. Kim, S. Nair, J. Kim, J. H. Kwak, J. W. Grate, S. H. Kim, and M. B. Gu. 2005. "Preparation of biocatalytic nanofibres with high activity and stability via enzyme aggregate coating on polymer nanofibres", Nanotechnology, 16, S382-S388.

Kimmel GA, NG Petrik, Z Dohnalek, and BD Kay. 2005. "Crystalline Ice Growth on Pt(111): Observation of a Hydrophobic Water Monolayer." Physical Review Letters 95(2005):166102.

King DL, and L Li. 2005. "High-Capacity Sulfur Dioxide Absorbents for Diesel Emissions Control ." Industrial and Engineering Chemistry Research 44(1):168-177.

Lazarov V, R Plass, H Poon, DK Saldin, M Weinert, SA Chambers, and M Gajdardziska-Josifovska. 2005. "Structure of the Hydrogen Stabilized MgO(111)-(1x1) Polar Surface: Integrated Experimental and Theoretical Studies." Physical Review. B, Condensed Matter and Materials Physics 71:115434.

J. Lee, D. Lee, E. Oh, J. Kim, Y. P. Kim, S. Jin, H. S. Kim, Y. Hwang, J. H. Kwak, J. G. Park, C. H. Shin, J. Kim, and T. Hyeon. 2005. "Preparation of a Magnetically Switchable Bioelectrocatalytic System Employing Cross-Linked Enzyme Aggregates in Magnetic Mesocellular Carbon Foam", Angew. Chem. Int. Ed. 44, 7427-7432.

J. Lee, J. Kim, H. Jia, M. Kim, J. Kim, J. H. Kwak, S. Jin, A. Dohnalkova, H-G Park, H-N Chang, P. Wang, J. W. Grate, T. Hyeon. 2005. "Simple synthesis of hierarchically ordered mesocellular mesoporous silica materials hosting crosslinked enzyme aggregates", Small, 1, 744-753.

Lee C, S Noh, S Kim, S Suh, and CH Peden. 2005. "Physical and Catalytic Properties of the Na-exchanged Y-Zeolites with Different Si/Al Ratios." Key Engineering Materials 277-279:720-731.

Lee C, H Lee, S Choi, J Kwak, and CH Peden. 2005. "Structural and Catalytic Properties of the Alkali Metal Ion-Exchanged Y-Zeolites by ²⁹Si and ²⁷Al Solid-State NMR and FT-IR Spectroscopy." Key Engineering Materials 277-279:708-719.

Li L, and DL King. 2005. "High-Capacity Sulfur Dioxide Absorbents for Diesel Emissions Control." Industrial and Engineering Chemistry Research 44(1):168-177.

Li L, and DL King. 2005. "Synthesis and Characterization of Silver Hollandite and its Application in Emission Control." Chemistry of Materials 17(17):4335-4343.

Lin Y, X Cui, C Yen, and CM Wai. 2005. "Platinum/Carbon Nanotube Nanocomposite Synthesized in Supercritical Fluid as Electrocatalysts for Low-Temperature Fuel Cells." Journal of Physical Chemistry B 109(30):14410-14415.

Liu G, and Y Lin. 2005. "Electrochemical Sensor for Organophosphate Pesticides and Nerve Agents Using Zirconia Nanoparticles as Selective Sorbents ." Analytical Chemistry 77(18):5894-5901.

Lu HP. 2005. "Site-Specific Raman Spectroscopy and Chemical Dynamics of Nanoscale Interstitial Systems." Journal of Physics. Condensed Matter 17(7):R333-R355.

Lyubinetsky IV, AS Lea, S Thevuthasan, and DR Baer. 2005. "Formation of Epitaxial Oxide Nanodots on Oxide Substrate: Cu₂O on SrTiO₃(100)." Surface Science 589(1-3):120-128.

Macht J, CD Baertsch, M May-Lozano, SL Soled, Y Wang, and E Iglesia. 2005. "Support Effects on Bronsted Acid Site Densities and Alcohol Dehydration Turnover Rates on Tungsten Oxide Domains." Journal of Catalysis 227:479-491.

Maheswaran S, S Thevuthasan, F Gao, V Shutthanandan, CM Wang, and RJ Smith. 2005. "Misfit Dislocations at the Single Crystal Fe2O3/Al2O3 Interface ."Physical Review. B, Condensed Matter and Materials Physics 72(7):Article number 075403. doi:10.1103/PhysRevB.72.075403

Matsumura Y, T Minowa, B Potic, SR Kersten, W Prins, WP van Swaaij, B van de Beld, DC Elliott, GG Neuenschwander, A Kruse, and MJ Antal. 2005. "Biomass Gasification in Near- and Super-critical Water: Status and Prospectus ." Biomass & Bioenergy 29(4):269-292. doi:10.1016/j.biombioe.2005.04.006

Mattigod SV, GE Fryxell, KL Alford, TJ Gilmore, KE Parker, RJ Serne, and MH Engelhard. 2005. "Functionalized TiO2 nanoparticles for use for in-situ anion immobilization." Environmental Science and Technology 39(18):7306-7310.

Mcintire TM, AS Lea, DJ Gaspar, N Jaitly, Y Dubowski, Q Li, and BJ Finlayson-Pitts. 2005. "Unusual aggregates from the oxidation of alkene self-assembled monolayers: a previously unrecognized mechanism for SAM ozonolysis?" Physical Chemistry Chemical Physics. PCCP 7:3605-3609.

Nurmi JT, PG Tratnyek, V Sarathy, DR Baer, JE Amonette, KH Pecher, CM Wang, JC Linehan, DW Matson, R Penn, and MD Driessen. 2005. "Characterization and Properties of Metallic Iron Nanoparticles: Spectroscopy, Electrochemistry, and Kinetics." Environmental Science and Technology 39(5):1221-1230.

Osterwalder J, TC Droubay, TC Kaspar, JR Williams, CM Wang, and SA Chambers. 2005. "Growth of Cr-doped TiO? Films in the Rutile and Anatase Structures by Oxygen Plasma Assisted Molecular Beam Epitaxy." Thin Solid Films 484(1-2):289-298.

Ozensoy E, J Szanyi, and CH Peden. 2005. "Interaction of Water with Ordered Theta-Al₂0₃ Ultrathin Films grown on NiAl(100)." Journal of Physical Chemistry B 109(8):3431-3436.

Ozensoy E, CH Peden, and J Szanyi. 2005. "NO₂ Adsorption on Ultrathin Θ-Al₂O₃ Films: Formation of Nitrite and Nitrate Species." Journal of Physical Chemistry 109(33):15977-15984.

Petrik NG, and GA Kimmel. 2005. "Low-Energy Electron-Stimulated Luminescence of Thin H20 and D20 Layers on Pt(111)." Journal of Physical Chemistry B 109(33):15835-15841.

Petrik NG, and GA Kimmel. 2005. "Electron-Stimulated Sputtering of Thin Amorphous Solid Water Films on Pt(111)." Journal of Chemical Physics 123(5):054702 (1-7).

PUNNOOSE A, J Hays, A Thurber, MH Engelhard, RK Kukkadapu, CM Wang, V Shutthanandan, and S Thevuthasan. 2005. "Development of High-Temperature Ferromagnetism in SnO2 and Paramagnetism in SnO by Fe Doping." Physical Review. B, Condensed Matter and Materials Physics 72(5):054402 (14 p.).

Rodriguez JA, X Wang, G Liu, J Hanson, J Hrbek, CH Peden, A Iglesias-Juez, and M Fernández-Garcia. 2005. "Physical and Chemical Properties of Ce₁-xZrxO₂ Nanoparticles and Ce₁-xZrxO₂ (111) Surfaces: Synchrotron-based Studies." Journal of Molecular Catalysis. A, Chemical 228(1-2):11-19.

Saraf LV, CM Wang, V Shutthanandan, Y Zhang, OA Marina, DR Baer, S Thevuthasan, P Nachimuthu, and DW Lindle. 2005. "Oxygen Transport Studies in Nanocrystalline Ceria Films." Journal of Materials Research 20(5):1295-1299.

Saraf LV, DW Matson, V Shutthanandan, CM Wang, OA Marina, and S Thevuthasan. 2005. "Ceria Incorporation into YSZ Columnar Nanostructures." Electrochemical and Solid-State Letters 8(10):A525-A527.

Sasahara A, TC Droubay, SA Chambers, H Uetsuka, and H Onishi. 2005. "Topography of Anatase TiO₂ Film Synthesized on LaAlO₃(001)." Nanotechnology 16(3):S18-S21.

Sawhill SJ, KA Layman, DR Van Wyk, MH Engelhard, CM Wang, and ME Bussell. 2005. "Thiophene Hydrodesulfurization over Nickel Phosphide Catalysts: Effect of the Precursor Composition and Support." Journal of Catalysis 231:300-313.

Shaw WJ, JC Linehan, A Gutowska, DJ Newell, TE Bitterwolf, JL Fulton, Y Chen, and CF Windisch, JR. 2005. "Synthesis and Characterization of a Recoverable Rhodium Catalyst with a Stimulus Sensitive Polymer Ligand." Inorganic Chemistry 8(10):894-896.

Simner SP, MD Anderson, LR Pederson, and JW Stevenson. 2005. "Performance Variability of La(Sr)FeO3 SOFC Cathode with Pt, Ag and Au Current Collectors." Journal of the Electrochemical Society 152(9):A1851-A1859. doi:10.1149/1.1995687

Szanyi J, J Kwak, and CH Peden. 2005. "The Catalytic Chemistry of HCN+NO₂ Over Na- and Ba-Y, FAU: An In Situ FTIR and TPD/TPR Study." Journal of Physical Chemistry B 109(4):1481-1490.

Szanyi J, J Kwak, D Kim, SD Burton, and CH Peden. 2005. "NO₂ Adsorption on BaO/AI₂O₃: The Nature of Nitrate Species." Journal of Physical Chemistry B 109(1):27-29.

Szanyi J, J Kwak, J Hanson, CM Wang, T Szailer, and CH Peden. 2005. "Changing Morphology of BaO/Al₂O₃ During NO₂ Uptake and Release." Journal of Physical Chemistry B 109(15):7339-7344.

Tait SL, Jr., Z Dohnalek, CT Campbell, and BD Kay. 2005. "n-Alkanes on MgO(100). II. Chain Length Dependence of Kinetic Desorption Parameters for Small n-Alkanes." Journal of Chemical Physics 122(16):4708.

Tait SL, Jr., Z Dohnalek, CT Campbell, and BD Kay. 2005. "n-Alkanes on MgO(100). I: Coverage-Dependent Desorption Kinetics of n-Butane." Journal of Chemical Physics 122(16):4707.

Tait SL, Jr., Z Dohnalek, C Campbell, and BD Kay. 2005. "Methane Adsorption and Dissociation and Oxygen Adsorption and Reaction with CO on Pd Nanoparticles on MgO(100) and on Pd(111)." Surface Science 591(1-3):90-107.

Vescavo E, H Kim, JM Ablett, and SA Chambers. 2005. "Spin-Polarized Conduction in Localized Ferromagnetic Materials: the case of Fe3O4 on MgO(100)." Journal of Applied Physics 98(8):NIL_1878-NIL_1882.

Wang CM, S Azad, V Shutthanandan, DE McCready, CH Peden, LV Saraf, and S Thevuthasan. 2005. "Microstructure of ZrO₂-CeO₂ Hetero-Multi-Layer Films Grown on YSZ Substrate." Acta materialia 53(7):1921-1929.

Wang CM, V Shutthanandan, S Thevuthasan, TC Droubay, and SA Chambers. 2005. "Microstructure of Co-doped TiO₂ (110) Rutile by Ion Implantation." Journal of Applied Physics 97(7):99-104.

Wang CM, V Shutthanandan, S Thevuthasan, and G Duscher. 2005. "Direct Imaging of Quantum Antidots in MgO Dispersed with Au Nanoclusters." Applied Physics Letters 87(15):NIL_153 - NIL_155. doi:153104

Wang CM, V Shutthanandan, Y Zhang, S Thevuthasan, and G Duscher. 2005. "Atomic Resolution Imaging of Au Nano-Cluster Dispersed in TiO2, SrTiO3, and MgO." Journal of the American Ceramic Society 88(11):3184-3191.

Wang LQ, SV Mattigod, KE Parker, DT Hobbs, and DE McCready. 2005. "Nuclear Magnetic Resonance Studies of Aluminosilicate Gels Prepared in High-Alkaline and Salt-Concentrated Solutions." Journal of Non-crystalline Solids (351):3435-3442.

White JM, and MA Henderson. 2005. "Trimethyl Acetate on TiO₂(110): Preparation and Anaerobic Photolysis." Journal of Physical Chemistry B 109(25):12417-12430.

Williams JR, CM Wang, and SA Chambers. 2005. "Heteroepitaxial Growth and Structural Analysis of Epitaxial α-Fe₂O₃(1010) on TiO₂(001)." Journal of Materials Research 20(5):1250-1256.

Williford RE, RS Addleman, XS Li, TS Zemanian, JC Birnbaum, and GE Fryxell. 2005. "Pore Shape Evolution in Mesoporous Silica Thin Films: from Circular to Elliptical to Rectangular." Journal of Non-crystalline Solids 351(27-29):2217-2223.

Williford RE, GE Fryxell, XS Li, and S Addleman. 2005. "Mechanism of Hierarchical Porosity Formation in Silica Thin Films using Cellulose Nitrate." Microporous and Mesoporous Materials 84(1-3):201-210.

Yang Z, GG Xia, SP Simner, and JW Stevenson. 2005. "Thermal Growth and Performance of Manganese Cobaltite Spinel Protection Layers on Ferritic Stainless Steel SOFC Interconnects." Journal of the Electrochemical Society 152(9):A1896-A1901.

Yang Z, G Xia, P Singh, and JW Stevenson. 2005. "Effects of Water Vapor on Oxidation Behavior of Ferritic Stainless Steels Under Solid Oxide Fuel Cell Interconnect Exposure Conditions." Solid State Ionics 176:1495-1503.

Yantasee W, LA Deibler, GE Fryxell, C Timchalk, and Y Lin. 2005. "Screen-Printed Electrodes Modified with Functionalized Mesoporous Silica for Voltammetric Analysis of Toxic Metal Ions." Electrochemistry Communications 7(11):1170-1176.

Yantasee W, GE Fryxell, MM Conner, and Y Lin. 2005. "Nanostructured Electrochemical Sensors Based on Functionalized Nanoporous Silica for Voltammetric Analysis of Lead, Mercury and Copper." Journal of Nanoscience and Nanotechnology 5(9):1537-1540.

Xia G, JD Holladay, RA Dagle, EO Jones, and Y Wang. 2005. "Development of Highly Active Pd-ZnO/Al₂O₃Catalysts for Microscale Fuel Processor Applications." Chemical Engineering and Technology 28(4):515-519.

D. Yi, J. Lee, J. Kim, J. Kim, H. B. Na, J. H. Kwak, A. Dohnalkova, J. W. Grate, T. Hyeon, and H. S. Kim. 2005. "Simple Fabrication of Highly-Sensitive and Fast Glucose Biosensor using Enzyme Immobilized in Mesoporous Carbon Foam", Adv. Mater. 17, 2828-2833.

Ye X, Y Lin, CM Wai, J Talbot, and S Jin. 2005. "Supercritical Fluid Attachment of Palladium Nanoparticles on Aligned Carbon Nanotubes." Journal of Nanoscience and Nanotechnology 5(6):964-969.

Yen C, X Cui, HB Pan, S Wang, Y Lin, and CM Wai. 2005. "Deposition of Platinum Nanoparticles on Carbon Nanotubes by Supercritical Fluid Method." Journal of Nanoscience and Nanotechnology 5(11):1852-1857. doi:10.1166/jnn.2005.421

Yezerets A, N Currier, D Kim, H Eadler, WS Epling, and CH Peden. 2005. "Differential Kinetic Analysis of Diesel Particulate Matter (Soot) Oxidation by Oxygen Using a Step-Response Technique." Applied Catalysis. B, Environmental 61(1-2):120-129.

Zhai HJ, B Kiran, B Dai, J Li, and LS Wang. 2005. "Unique CO Chemisorption Properties of Gold Hexamer: Au6(CO)n?(n = 0-3)." Journal of the American Chemical Society 127(34):12098-12106.

2004

Barlow, Stephan; Fisher, Galen; Hammer, Thomas; Hoard, John; Jang, Ben; Liu, Chang-jun; Orlando, Thomas; Peden, Charles; Tonkyn, Russell. Obituary – Bernie Penetrante. Catalysis Today 89(1-2):3.

Cao C, G Xia, JD Holladay, EO Jones, and Y Wang. 2004. "Kinetic Studies of Methanol Steam Reforming Over Pd/ZnO Catalyst Using a Microchannel Reactor." Applied Catalysis. A, General 262(1):19-29.

Daschbach JL, BM Peden, RS Smith, and BD Kay. 2004. "Adsorption, Desorption, and Clustering H₂O on Pt (111)." Journal of Chemical Physics 120(3):1516–1523.

Daschbach JL, GK Schenter, P Ayotte, RS Smith, and BD Kay. 2004. "Helium Diffusion Through H₂O and D₂O Amorphous Ice: A Lattice Inverse Istope Effect." Physical Review Letters 92(19):Art. no. 198306.

Disselkamp RS, KM Judd, TR Hart, CHF Peden, GJ Posakony, and LJ Bond. 2004. "A Comparison Between Conventional and Ultrasound-Mediated Heterogeneous Catalysis: Hydrogenation of 3-buten-1-ol Aqueous Solutions." Journal of Catalysis 221(2):347-353.

Disselkamp RS, Y Chin, and CH Peden. 2004. "The Effect of Cavitating Ultrasound on the Heterogeneous Aqueous Hydrogenation of 3-buten-2-ol on Pd-black." Journal of Catalysis 227(2):552–555.

Elliott DC, GG Neuenschwander, TR Hart, RS Butner, AH Zacher, MH Engelhard, JS Young, and DE McCready. 2004. "Chemical Processing in High-Pressure Aqueous Environments. 7. Process Development for Catalytic Gasification of Wet Biomass Feedstocks." Industrial and Engineering Chemistry Research 43(9):1999–2004.

Elliott DC, KL Peterson, DS Muzatko, EV Alderson, TR Hart, and GG Neuenschwander. 2004. "Effects of Trace Contaminants on Catalytic Processing of Biomass-Derived Feedstocks." Applied Biochemistry and Biotechnology 115(20):807-826.

Han L, W Wu, F Kirk, J Luo, MM Maye, NN Kariuki, Y Lin, CM Wang, and C Zhong. 2004. "A Direct Route towards Assembly of Nanoparticle-Carbon Nanotube Composite Materials." Langmuir 20(14):6019-6025.

Henderson MA. 2004. "Acetone Chemistry on Oxidized and Reduced TiO₂(110)." Journal of Physical Chemistry B 108(49):18932-1894.

Holladay JD, EO Jones, RA Dagle, G Xia, C Cao, and Y Wang. 2004. "High Efficiency and Low Carbon Monoxide Micro-scale Methanol Processors." Journal of Power Sources 131(1-2):69-72.

Holladay JD, Y Wang, and EO Jones. 2004. "Review of Developments in Portable Hydrogen Production Using Microreactor Technology." Chem Reviews 104(10):4767–4789.

Kim J, Z Dohnalek, JM White, and BD Kay. 2004. "Reactive Growth of Nanoscale MgO Films by Mg Atom Deposition onto O2 Multilayers." Journal of Physical Chemistry B 108(31):11666–11671.

Kwak J, J Szanyi, and CH Peden. 2004. "Non-Thermal Plasma-assisted NOx Reduction over Alkali and Alkaline Earth Ion Exchanged Y, FAU Zeolites." Catalysis Today 89(1-2):135-141.

Li L, and DL King. 2004. "Method for Determining Performance of Sulfur Oxide Adsorbents for Diesel Emission Control Using Online Measurement of SO₂ and SO₃ in the Effluent." Industrial and Engineering Chemistry Research 43(15):4452–4456.

Li XS, GE Fryxell, JC Birnbaum, and CM Wang. 2004. "The Effects of Template and Precursor Chemistry on Structure and Properties of Mesoporous TiO₂ Thin Films." Langmuir 20(21):9095-9102.

Liu G, JA Rodriguez, Z Chang, J Hrbek, and CH Peden. 2004. "Adsorption and Reaction of SO₂ on Model Ce₁-xZrxO₂(111) Catalysts." Journal of Physical Chemistry B 108(9):2931-2938.

Liu S, Z Dohnalek, RS Smith, and BD Kay. 2004. "Interaction of CH₄, CH₃Cl, CH₂CI₂, and CCl₄ with O–terminated FeO(111)." Journal of Physical Chemistry B 108(11):3644–3650.

Luo J, MM Maye, L Han, NN Kariuki, VW Jones, Y Lin, MH Engelhard, and C Zhong. 2004. "Spectroscopic Characterizations of Molecularly-Linked Gold Nanoparticle Assemblies Upon Thermal Treatment." Langmuir 20(10):4254-4260.

Lyubinetsky IV, A El-Azab, AS Lea, S Thevuthasan, and DR Baer. 2004. "Initial Stages of Oxide Nanodot Heteroepitaxial Growth: Cu₂O on SrTiO₃ (100)." Applied Physics Letters 85(19):4481-4483.

Macht J, CD Baertsch, M May-Lozano, SL Soled, Y Wang, and E Iglesia. 2004. "Support Effects on Bronsted Acid Site Densities and Alcohol Dehydration Turnover Rates on Small Tungsten Oxide Domains." J.Catal. 227:479-491.

Madey, TE, CW Mccurdy, D Meisel, S Mukamel, AR Nilsson, TM Orlando, NG Petrik, SM Pimblott, JR Rustad, GK Schenter, SJ Singer, A Tokmakoff, LS Wang, C Wittig, and TS Zwier. 2004. "The Role of Water on Electron-Initiated Processes and Radical Chemistry: Issues and Scientific Advances." Chemical Reviews 105:355-389.

Mazanec T, S Perry, ALY Tonkovich, and Y Wang. 2004. "Microchannel Gas to Liquid Conversion – Thinking Big by Thinking Small." Stud Surf. Sci. Catal. 147:169–174.

Rappe KG, J Hoard, CL Aardahl, PW Park, CH Peden, and DN Tran. 2004. "Combination of Low and High Temperature Catalytic Materials to Obtain Broad Temperature Coverage for Plasma-Facilitated NOx Reduction." Catalysis Today 89(1-2):143-150.

Rodriguez JA, X Wang, G Liu, J Hanson, J Hrbek, CH Peden, A Iglesias-Juez, and M Fernández-García. 2004. "Physical and Chemical Properties of Ceι-xZrxO₂ Nanoparticles and Ceι-xZrxO₂ (111) Surfaces: Synchrotron-based Studies." Journal of Molecular Catalysis. A, Chemical 228:11-19.

Saraf LV, V Shutthanandan, Y Zhang, S Thevuthasan, CM Wang, A El-Azab, and DR Baer. 2004. "Distinguishibility of Oxygen Desorption From the Surface Region with Mobility Dominant Effects in Nanocrystalline Ceria Films." Journal of Applied Physics 96(10):5756-5760.

Szanyi J, J Kwak, and CH Peden. 2004. "The Effect of Water on the Adsorption of NO₂ in Na- and Ba-Y,FAU Zeolites: A Combined FTIR and TPD Investigation." Journal of Physical Chemistry B 108(12):3746-3753.

Szanyi J, J Kwak, RA Moline, and CH Peden. 2004. "Adsorption, Coadsorption and Reaction of Acetaldehyde and NOv(2) on Na-Y,FAU: an in situ FTIR Investigation." Journal of Physical Chemistry B 108(44):17050–17058.

Takahashi K, SJ Limmer, Y Wang, and G Cao. 2004. "Synthesis and Electrochemical Properties of Single–Crystal V2O5 Nanorod Arrays by Template–Based Electrodeposition." Journal of Physical Chemistry B 108(28):9795–9800.

Tonkovich AY, S Perry, Y Wang, WA Rogers, D Qiu, and Y Peng. 2004. "Microchannel Process Technology for Compact Methane Steam Reforming." Chem. Eng. Sci. 59 (22&23):4819–4824.

Uetsuka H, H Onishi, MA Henderson, and JM White. 2004. "Photoinduced Redox Reaction Coupled with Limited Electron Mobility at Metal Oxide Surface." Journal of Physical Chemistry B 108(30):10621–10624.

Uetsuka H, MA Henderson, A Sasahara, and H Onishi. 2004. "Formate Adsorption on the (111) Surface of Rutile TiO₂." Journal of Physical Chemistry B 108(36):13706–13710.

Wang CM, S Azad, S Thevuthasan, V Shutthanandan, DE McCready, and CH Peden. 2004. "Distortion of the Oxygen Sub-Lattice in Pure Cubic-ZrO₂." Journal of Materials Research 19(5):1315-1319.

Wang LQ, KF Ferris, S Azad, MH Engelhard, and CH Peden. 2004. "Adsorption and Reaction of Acetaldehyde on Stoichiometric and Defective SrTiO₃(100) Surfaces." Journal of Physical Chemistry B 108(5):1646-1652.

Wang Y, C Chin, RT Rozmiarek, and J Watson. 2004. "Highly Active and Robust Methane Steam Reforming Catalysts." Catalysis Today 98:575–581.

Wang, Y, YH Chin, RT Rozmiarek, BR Johnson, Y, Gao, J Watson, AL Y Tonkovich, DP VanderWiel, Y Wang, C Chin, RT Rozmiarek, and J Watson." 2004. Highly Active and Stable Rh/MgOAl₂O₃ Catalysts for Methane Steam Reforming. " Catal.Today. 98:575–581.

White JM, J Szanyi, and MA Henderson. 2004. "Thermal Chemistry of Trimethyl Acetic Acid on TiO₂(110)." Journal of Physical Chemistry B 108(11):3592–3602.

Yakovkin IN, and MS Gutowski. 2004. "The SrTiO₃/Si(001) Epitaxial Interface: A Density Functional Theory." Physical Review. B, Condensed Matter 70:165319.

Ye X, H Zhang, Y Lin, LS Wang, and CM Wai. 2004. "Modification of SiO₂ Nanowires with Metallic Nanocrystals from Supercritical CO₂." Journal of Nanoscience and Nanotechnology 4(1/2):82-85.

Ye X, Y Lin, CM Wang, MH Engelhard, Y Wang, and CM Wai. 2004. "Supercritical Fluid Synthesis and Characterization of Catalytic Metal Nanoparticles on Carbon Nanotubes." Journal of Materials Chemistry 14(5):908-913.