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Physical Sciences

PSD Publications

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Scientists in the Physical Sciences Directorate publish their research in a host of peer-reviewed journals. The publications below are listed in alphabetical order by first author.

2019

Alvis S.I., I.J. Arnquist, F.T. Avignone, A.S. Barabash, C.J. Barton, V. Basu, and F. Bertrand, et al. 2019. "Multisite event discrimination for the Majorana Demonstrator." Physical Review. C, Nuclear Physics 99, no. 6:Article No. 065501. PNNL-SA-140391. doi:10.1103/PhysRevC.99.065501

Apra E., J. Warneke, S.S. Xantheas, and X. Wang. 2019. "A benchmark photoelectron spectroscopic and theoretical study of the electronic stability of [B12H12]2-." Journal of Chemical Physics 105, no. 16:164306. PNNL-SA-140650. doi:10.1063/1.5089510

Bagus P.S., C.J. Nelin, C.R. Brundle, and S.A. Chambers. 2019. "A New Mechanism For XPS Line Broadening: The 2p-XPS of Ti(IV)." Journal of Physical Chemistry C 123, no. 13:7705-7716. PNNL-SA-135550. doi:10.1021/acs.jpcc.8b05576

Barpaga D., J. Zheng, K. Han, J.A. Soltis, V. Shutthanandan, S. Basuray, and B.P. McGrail, et al. 2019. "Probing the Sorption of Perfluorooctanesulfonate using Mesoporous Metal-Organic Frameworks from Aqueous Solutions." Inorganic Chemistry 58, no. 13:8339-8346. PNNL-SA-140984. doi:10.1021/acs.inorgchem.9b00380

Barpaga D., V.T. Nguyen, B.K. Medasani, S. Chatterjee, B.P. McGrail, R.K. Motkuri, and L.X. Dang. 2019. "Insight into Fluorocarbon Adsorption in Metal-Organic Frameworks via Experiments and Molecular Simulations." Scientific Reports 9, no. 1:Article Number 10289. PNNL-SA-140049. doi:10.1038/s41598-019-46269-7

Be A.G., H. Chase, Y. Liu, M. Upshur, Y. Zhang, A. Tuladhar, and Z.A. Jessamy-Chase, et al. 2019. "Atmospheric ß-Caryophyllene-Derived Ozonolysis Products at Interfaces." ACS Earth and Space Chemistry 3, no. 2:158-169. PNNL-SA-140243. doi:10.1021/acsearthspacechem.8b00156

Bhattarai A., A.G. Joly, A.V. Krayev, and P.Z. El-Khoury. 2019. "Taking the Plunge: Nanoscale Chemical Imaging of Functionalized Gold Triangles in H2O via TERS." Journal of Physical Chemistry C 123, no. 12:7376-7380. PNNL-SA-140448. doi:10.1021/acs.jpcc.9b00867

Bhattarai A., and P.Z. El-Khoury. 2019. "Nanoscale Chemical Reaction Imaging at the Solid-Liquid Interface via TERS." Journal of Physical Chemistry Letters 10, no. 11:2817-2822. PNNL-SA-141439. doi:10.1021/acs.jpclett.9b00935

Bischoff L.A., M. Drisch, C. Kerpen, P.T. Hennig, J. Landmann, J. Sprenger, and R. Bertermann, et al. 2019. "Cyanohydridoborate Anions: Synthesis, Salts, and Low-Viscosity Ionic Liquids." Chemistry - A European Journal 25, no. 14:3560-3574. PNNL-SA-137921. doi:10.1002/chem.201804698

Bower W.R., C.I. Pearce, A. Smith, S. Pimblott, J. Mosselmans, and R. Pattrick. 2019. "Radiation damage effects in chlorite investigated using microfocus synchrotron techniques." ACS Earth and Space Chemistry 3, no. 4:652-662. PNNL-SA-141757. doi:10.1021/acsearthspacechem.8b00205

Bowers G.M., H.T. Schaef, Q. Miller, E.D. Walter, S.D. Burton, D.W. Hoyt, and J.A. Horner, et al. 2019. "C-13 Nuclear Magnetic Resonance Spectroscopy of Methane and Carbon Dioxide in a Natural Shale." ACS Earth and Space Chemistry 3, no. 3:324-328. PNNL-SA-140683. doi:10.1021/acsearthspacechem.8b00214

Bowers G.M., J.S. Loring, H.T. Schaef, S.S. Cunniff, E.D. Walter, S.D. Burton, and R.K. Larsen, et al. 2019. "Chemical Trapping of CO2 by Clay Minerals at Reservoir Conditions: Two Mechanisms Observed by In Situ High Pressure and Temperature Experiments." ACS Earth and Space Chemistry 3, no. 6:1034-1046. PNNL-SA-140918. doi:10.1021/acsearthspacechem.9b00038

Byers J.P., B. Li, R.V. Chopdekar, J.J. Ditto, D.C. Johnson, Y. Takamura, and N.D. Browning. 2019. "Correlation between epitaxial strain and magnetic properties in La0.7Sr0.3CoO3/La0.7Sr0.3MnO3 bilayers." Journal of Applied Physics 125, no. 8:Article No. 082518. PNNL-SA-142751. doi:10.1063/1.5054003

Cantu Cantu D., A.B. Padmaperuma, M. Nguyen, S.A. Akhade, Y. Yoon, Y. Wang, and M. Lee, et al. 2019. "ERRATUM - A Combined Experimental and Theoretical Study on the Activity and Selectivity of the Electrocatalytic Hydrogenation of Aldehydes." ACS Catalysis 9, no. 8:1738. PNNL-SA-140541. doi:10.1021/acscatal.9b00093

Cao Y., M. Li, J. Lu, J. Liu, and K. Amine. 2019. "Bridging the Academic and Industrial Metrics for Next-Generation Practical Batteries." Nature Nanotechnology 14, no. 3:200-207. PNNL-SA-140461. doi:10.1038/s41565-019-0371-8

Chaka A.M. 2019. "Quantifying the Impact of Magnesium on the Stability and Water Binding Energy of Hydrated Calcium Carbonates by ab initio Thermodynamics." Journal of Physical Chemistry A 123, no. 13:2908-2923. PNNL-SA-139647. doi:10.1021/acs.jpca.9b00180

Chang L., L. Wang, L. You, Z. Yang, A. Abdelsamie, Q. Zhang, and Y. Zhou, et al. 2019. "Tuning Photovoltaic Performance of Perovskite Nickelates Heterostructures by Changing the A-Site Rare-Earth Element." ACS Applied Materials & Interfaces 11, no. 17:16191-16197. PNNL-SA-140637. doi:10.1021/acsami.9b01851

Chatterjee S., M.S. Fujimoto, Y. Cheng, R. Kargupta, J.A. Soltis, R.K. Motkuri, and S. Basuray. 2019. "Improving the Sensitivity of Electrochemical Sensors through a Complementary Luminescent Mode: A New Spectroelectrochemical Approach." Sensors and Actuators. B, Chemical 284. PNNL-SA-135256. doi:10.1016/j.snb.2018.10.093

Chen H., M. Kollar, Z. Wei, F. Gao, Y. Wang, J. Szanyi, and C. 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. PNNL-SA-129558. doi:10.1016/j.cattod.2017.12.022

Chen S., C. Niu, H. Lee, Q. Li, L. Yu, W. Xu, and J. Zhang, et al. 2019. "Critical Parameters for Evaluating Coin Cells and Pouch Cells of Rechargeable Li-Metal Batteries." Joule 3, no. 4:1094-1105. PNNL-SA-131547. doi:10.1016/j.joule.2019.02.004

Chen Y., N.M. Washton, R.P. Young, A.J. Karkamkar, J.J. De Yoreo, and K.T. Mueller. 2019. "Monitoring solvent dynamics and ion associations in the formation of cubic octamer polyanion in tetramethylammonium silicate solutions." Physical Chemistry Chemical Physics. PCCP 21, no. 9:4717-4720. PNNL-SA-141469. doi:10.1039/C8CP07521B

Clark J.A., A. Murray, J. Lee, S. Autrey, A. Collord, and H.W. Hillhouse. 2019. "Complexation Chemistry in N,N-Dimethylformamide-Based Molecular Inks for Chalcogenide Semiconductors and Photovoltaic Devices." Journal of American Chemical Society 141, no. 1:298-308. PNNL-SA-136834. doi:10.1021/jacs.8b09966

Crane M.J., A. Petrone, R.A. Beck, M.B. Lim, X. Zhou, X. Li, and R.M. Stroud, et al. 2019. "High-pressure, high-temperature molecular doping of nanodiamond." Science Advances 5, no. 5:Article No. eaau6073. PNNL-SA-145794. doi:10.1126/sciadv.aau6073

Dai H., X. Chen, M. Ye, X. Song, G. Hammond, B.X. Hu, and J.M. Zachara. 2019. "Using Bayesian Networks for Sensitivity Analysis of Complex Biogeochemical Models." Water Resources Research 55, no. 4:3541-3555. PNNL-SA-141922. doi:10.1029/2018WR023589

Denk C., S.D. Foraita, L. Kovarik, K.A. Stoerzinger, Y. Liu, E. Barath, and J.A. Lercher. 2019. "Rate enhancement by Cu in NixCu1-x/ZrO2 bimetallic catalysts for hydrodeoxygenation of stearic acid." Catalysis Science & Technology 9, no. 10:2620-2629. PNNL-SA-140851. doi:10.1039/c9cy00181f

Devanathan R., W. Jiang, K. Kruska, M.A. Conroy, T.C. Droubay, and J.M. Schwantes. 2019. "Hexagonal Close-Packed High-Entropy Alloy Formation under Extreme Processing Conditions." Journal of Materials Research 34, no. 5:709-719. PNNL-SA-137859. doi:10.1557/jmr.2018.438

Doudin N.M., S.F. Yuk, M.D. Marcinkowski, M. Nguyen, J. Liu, Y. Wang, and Z. Novotny, et al. 2019. "Understanding Heterolytic H2 Cleavage and Water-Assisted Hydrogen Spillover on Fe3O4(001)-Supported Single Palladium Atoms." ACS Catalysis 9, no. 9:7876-7887. PNNL-SA-141193. doi:10.1021/acscatal.9b01425

Dutta A., and W.J. Shaw. 2019. "Chemical method for evaluating catalytic turnover frequencies (TOF) of moderate to slow H2 oxidation electrocatalysts." Organometallics 38, no. 6:1311-1316. PNNL-SA-137052. doi:10.1021/acs.organomet.8b00580

Eckstein S., P.H. Hintermeier, R. Zhao, E. Barath, H. Shi, Y. Liu, and J.A. Lercher. 2019. "Influence of hydronium ions in zeolites on sorption." Angewandte Chemie International Edition 58, no. 11:3450-3455. PNNL-SA-135460. doi:10.1002/anie.201812184

Egbert J.D., E.C. Thomsen, S.A. O'Neill-Slawecki, D.M. Mans, D.C. Leitch, L.J. Edwards, and C.E. Wade, et al. 2019. "Development and Scale-up of Continuous Electrocatalytic Hydrogenation of Functionalized Nitro arenes, Nitriles and Unsaturated Aldehydes." Organic Process Research & Development 23, no. 9:1803-1812. PNNL-SA-139588. doi:10.1021/acs.oprd.8b00379

Fast J.D., L.K. Berg, L. Alexander, D.M. Bell, E. D'Ambro, J.M. Hubbe, and C. Kuang, et al. 2019. "Overview of the HI-SCALE Field Campaign: A New Perspective on Shallow Convective Clouds." Bulletin of the American Meteorological Society 100, no. 5:821-840. PNNL-SA-133582. doi:10.1175/BAMS-D-18-0030.1

Fetisov E., W.C. Isley, G.J. Lumetta, and S.M. Kathmann. 2019. "Electric Potentials of Metastable Salt Clusters." Journal of Physical Chemistry C 123, no. 22:14010-14023. PNNL-SA-141705. doi:10.1021/acs.jpcc.9b02494

Grate J.W., B. Liu, R.T. Kelly, N.C. Anheier, and T. Schmidt. 2019. "Microfluidic Sensors with Impregnated Fluorophores for Simultaneous Imaging of Spatial Structure and Chemical Oxygen Gradients." ACS Sensors 4, no. 2:317-325. PNNL-SA-137290. doi:10.1021/acssensors.8b00924

Grubel K., W. Chouyyok, D.J. Heldebrant, J.C. Linehan, and J.T. Bays. 2019. "Octane-On-Demand: Onboard Separation of Oxygenates from Gasoline." Energy and Fuels 33, no. 3:1869-1881. PNNL-SA-138442. doi:10.1021/acs.energyfuels.8b03781

Guo Z., M. Shams, C. Zhu, Q. Shi, Y. Tian, M.H. Engelhard, and D. Du, et al. 2019. "Electrically Switched Ion Exchange Based on Carbon-polypyrrole Composite Smart Materials for the Removal of Re04- from Aqueous Solutions." Environmental Science & Technology 53, no. 5:2612-2617. PNNL-SA-131524. doi:10.1021/acs.est.8b04789

Han Q., M. Ur Rehman, J. Wang, A. Rykov, O.Y. Gutierrez-Tinoco, Y. Zhao, and S. Wang, et al. 2019. "The synergistic effect between Ni sites and Ni-Fe alloy sites on hydrodeoxygenation of lignin-derived phenols." Applied Catalysis B 253. PNNL-SA-143280. doi:10.1016/j.apcatb.2019.04.065

Han Y., M.A. Sinnwell, S.J. Teat, M.L. Sushko, M.E. Bowden, Q. Miller, and H.T. Schaef, et al. 2019. "Desulfurization Efficiency Preserved in a Heterometallic MOF: Synthesis and Thermodynamically Controlled Phase Transition." Advanced Science 6, no. 7:1802056. PNNL-SA-136448. doi:10.1002/advs.201802056

Harilal S.S., E.J. Kautz, B.E. Bernacki, M.C. Phillips, P.J. Skrodzki, M. Burger, and I. Jovanovic. 2019. "Physical conditions for UO formation in laser-produced uranium plumes." Physical Chemistry Chemical Physics. PCCP 21, no. 29:16161-16169. PNNL-SA-143238. doi:10.1039/c9cp02250c

Hiranuma N., K. Adachi, D.M. Bell, F. Belosi, H. Beydoun, B. Bhaduri, and H. Bingemer, et al. 2019. "A comprehensive characterization of ice nucleation by three different types of cellulose particles immersed in water." Atmospheric Chemistry and Physics 19, no. 7:4823-4849. PNNL-SA-141665. doi:10.5194/acp-19-4823-2019

Hirscher M., S. Autrey, and S. Orimo. 2019. "Hydrogen Energy." ChemPhysChem 20, no. 10:1157-1157. PNNL-SA-143944. doi:10.1002/cphc.201900429

Hochella M.F., D. Mogk, J. Ranville, I. Allen, G. Luther, L. Marr, and B.P. McGrail, et al. 2019. "Natural, incidental, and engineered nanomaterials and their impacts on the Earth system." Science 363, no. 6434:Article number eaau8299. PNNL-SA-138605. doi:10.1126/science.aau8299

Hou G., M. Valiev, and X. Wang. 2019. "Sulfuric acid and aromatic carboxylate clusters H2SO4·ArCOO-: structures, properties, and their relevance to the initial aerosol nucleation." International Journal of Mass Spectrometry 439. PNNL-SA-140519. doi:10.1016/j.ijms.2019.02.001

Hrovat D., X. Wang, and W. Borden. 2019. "Calculations on 1,8-Naphthoquinone Predict that the Ground State of this Diradical Is a Singlet." Journal of Computational Chemistry 40, no. 1:119-126. PNNL-SA-135146. doi:10.1002/jcc.25551

Hutchison J.R., M.W. Widder, S.M. Brooks, L.M. Brennan, L. Souris, V.T. DeVito, and W.H. van der Schalie, et al. 2019. "Consistent Production of Chlorine-Stressed Bacteria from Non-Chlorinated Secondary Sewage Effluents for use in the U.S. Environmental Protection Agency Alternate Test Procedure Protocol." Journal of Microbiological Methods 163. PNNL-SA-142969. doi:10.1016/j.mimet.2019.105651

Jan A., J. Delaye, S. Gin, and S.N. Kerisit. 2019. "Molecular dynamics simulation of ballistic effects in simplified nuclear waste glasses." Journal of Non-crystalline Solids 505. PNNL-SA-138390. doi:10.1016/j.jnoncrysol.2018.11.021

Jana S., A.L. Schemer-Kohrn, N.R. Overman, L.E. Sweet, E.J. Kautz, C.A. Lavender, and V.V. Joshi. 2019. Eutectoid Transformation in U10Mo Alloy: Effect of Deformation History and Homogenization Heat Treatment. PNNL-28519. Richland, WA: Pacific Northwest National Laboratory. Eutectoid Transformation in U10Mo Alloy: Effect of Deformation History and Homogenization Heat Treatment

Jiang W., M.A. Conroy, K. Kruska, M.J. Olszta, T.C. Droubay, J.M. Schwantes, and C.A. Taylor, et al. 2019. "In situ Study of Particle Precipitation in Metal-doped CeO2 during Thermal Treatment and Ion Irradiation for Emulation of Irradiating Fuels." Journal of Physical Chemistry C 123, no. 4:2591-2601. PNNL-SA-139442. doi:10.1021/acs.jpcc.8b11027

Jin B., M.L. Sushko, Z. Liu, X. Cao, C. Jin, and R. Tang. 2019. "Understanding anisotropic growth of Au penta-twinned nanorods by liquid cell transmission electron microscopy." Journal of Physical Chemistry Letters 10, no. 7:1443-1449. PNNL-SA-142145. doi:10.1021/acs.jpclett.9b00164

Jin H., T. Jian, Y. Ding, Y. Chen, P. Mu, L. Wang, and C. Chen. 2019. "Solid-Phase Synthesis of Three-Armed Star-Shaped Peptoids and Their Hierarchical Self-Assembly." Biopolymers 110, no. 4:e23258. PNNL-SA-140649. doi:10.1002/bip.23258

Kaspar T.C., C.L. Arendt, D.L. Neal, S.L. Riechers, C.E. Rutherford, A.L. Schemer-Kohrn, and S.R. Spurgeon, et al. 2019. "Characterization of surface layers formed on DU10Mo ingots after processing steps and high humidity exposure." Journal of Nuclear Materials 514. PNNL-SA-136846. doi:10.1016/j.jnucmat.2018.11.022

Kaspar T.C., P.V. Sushko, S.R. Spurgeon, M.E. Bowden, D.J. Keavney, R.B. Comes, and S. Saremi, et al. 2019. "Electronic structure and band alignment of LaMnO3 / SrTiO3 polar / non-polar heterojunctions." Advanced Materials Interfaces 6, no. 1:1801428. PNNL-SA-137669. doi:10.1002/admi.201801428

Kautz E.J., A.R. Hagen, J.M. Johns, and D. Burkes. 2019. "A machine learning approach to thermal conductivity modeling: A case study on irradiated uranium-molybdenum nuclear fuels." Computational Materials Science 161. PNNL-SA-138923. doi:10.1016/j.commatsci.2019.01.044

Kautz E.J., D. Burkes, V.V. Joshi, C.A. Lavender, and A. Devaraj. 2019. "Nanoscale spatially resolved mapping of uranium enrichment." Scientific Reports 9, no. 1:Article No. 12302. PNNL-SA-139895. doi:10.1038/s41598-019-48479-5

Kochanov R.V., I.E. Gordon, L.S. Rothman, K.P. Shine, K.P. Shine, S.W. Sharpe, and T.J. Johnson, et al. 2019. "Infrared absorption cross-sections in HITRAN2016 and beyond: Expansion for climate, environment, and atmospheric applications." Journal of Quantitative Spectroscopy and Radiative Transfer 230. PNNL-SA-136605. doi:10.1016/J.JQSRT.2019.04.001

Kollias L., D. Cantu Cantu, M.A. Tubbs, R.J. Rousseau, V. 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, no. 14:6073-6081. PNNL-SA-137278. doi:10.1021/jacs.9b01829

Kolsnikov A.I., L.M. Anovitz, F.C. Hawthorne, A.A. Podlesnyak, and G.K. Schenter. 2019. "Effect of fine-tuning pore structures on the dynamics of confined water." Journal of Chemical Physics 150, no. 20:Article number 204706. PNNL-SA-142207. doi:10.1063/1.5096771

Kothandaraman J., J. Zhang, V. Glezakou, M.T. Mock, and D.J. Heldebrant. 2019. "Chemical Transformations of Captured CO2 into Cyclic and Polymeric Carbonates." Journal of CO2 utilization 32. PNNL-SA-139496. doi:10.1016/j.jcou.2019.04.020

Kouzes R.T., E.R. Siciliano, J.E. Tanner, and G.A. Warren. 2019. "Testing Requirements for Active Interrogation Systems." Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 922. PNNL-SA-135054. doi:10.1016/j.nima.2018.12.088

Kramer A.L., K.J. Suski, D.M. Bell, A. Zelenyuk-Imre, and S.L. Massey Simonich. 2019. "Formation of Polycyclic Aromatic Hydrocarbon Oxidation Products in alpha-Pinene Secondary Organic Aerosol Particles Formed through Ozonolysis." Environmental Science & Technology 53, no. 12:6669-6677. PNNL-SA-144860. doi:10.1021/acs.est.9b01732

Kumar N., J.M. Darmon, C.J. Weiss, M.L. Helm, S. Raugei, and R.M. Bullock. 2019. "Outer Coordination Sphere Proton Relay Base and Proximity Effects on Hydrogen Oxidation with Iron Electrocatalysts." Organometallics 38, no. 6:1391-1396. PNNL-SA-139298. doi:10.1021/acs.organomet.8b00805

Laureanti J.A., G.W. Buchko, S. Katipamula, Q. Su, J.C. Linehan, O. Zadvornyy, and J.W. Peters, et al. 2019. "Protein Scaffold Activates Catalytic CO2 Hydrogenation by a Rhodium Bis(diphosphine) Complex." ACS Catalysis 9, no. 1:620-625. PNNL-SA-135805. doi:10.1021/acscatal.8b02615

Lee K., B.J. Riley, H. Park, J. Choi, S. Han, J. Hur, and J.A. Peterson, et al. 2019. "Investigation of physical and chemical properties for upgraded SAP (SiO2-Al2O3-P2O5) waste form to immobilize radioactive waste salt." Journal of Nuclear Materials 515, no. 2019:382-391. PNNL-SA-130870. doi:10.1016/j.jnucmat.2019.01.004

Lee M., V. Glezakou, R.J. Rousseau, and B.P. McGrail. 2019. "Molecular simulation of the catalytic regeneration of nBuLi through a hydrometallation route." Inorganic Chemistry 58, no. 5:3033-3040. PNNL-SA-138686. doi:10.1021/acs.inorgchem.8b02910

Li Z., Z. Hu, Y. Jiang, Q. Yuan, H. Sun, X. Wang, and Z. Sun. 2019. "Electronic structures and binding motifs of sodium polysulfide clusters NaSn- (n = 5-9): a joint negative ion photoelectron spectroscopy and computational investigation." Journal of Chemical Physics 150, no. 24:Article number 244305. PNNL-SA-142853. doi:10.1063/1.5100733

Liao Q., L. Liu, S. Johnson, C. Klug, E.S. Wiedner, R.M. Bullock, and D.L. DuBois. 2019. "Evaluation of Attractive Interactions in the Second Coordination Sphere of Iron Complexes Containing Pendant Amines." Dalton Transactions 48, no. 15:4867-4878. PNNL-SA-141710. doi:10.1039/c9dt00708c

Liu J., Z. Bao, Y. Cui, E. Dufek, J. Goodenough, P. Khalifah, and Q. Li, et al. 2019. "Pathways for Practical High-Energy Long-Cycling Lithium Metal Batteries." Nature Energy 4, no. 3:180-186. PNNL-SA-129839. doi:10.1038/s41560-019-0338-x

Malhotra D., D. Cantu Cantu, P.K. Koech, D.J. Heldebrant, A.J. Karkamkar, F. Zheng, and M.D. Bearden, et al. 2019. "Directed Hydrogen Bond Placement: Low Viscosity Amine Solvents for CO2 Capture." ACS Sustainable Chemistry & Engineering 7, no. 8:7535-7542. PNNL-SA-139613. doi:10.1021/acssuschemeng.8b05481

Mayer M., V. Van Lessen, M. Rohdenburg, G. Hou, Z. Yang, R.M. Exner, and E. Apra, et al. 2019. "Rational design of an argon-binding superelectrophilic anion." Proceedings of the National Academy of Sciences of the United States of America 116, no. 17:8167-8172. PNNL-SA-140803. doi:10.1073/pnas.1820812116

McBriarty M.E., J. Stubbs, P. Eng, and K.M. Rosso. 2019. "Reductive Dissolution Mechanisms at the Hematite-Electrolyte Interface Probed by In Situ X-ray Scattering." Journal of Physical Chemistry C 123, no. 13:8077-8085. PNNL-SA-140198. doi:10.1021/acs.jpcc.8b07413

Miller Q., D.A. Dixon, S.D. Burton, E.D. Walter, D.W. Hoyt, A.S. Mcneill, and J. Moon, et al. 2019. "Surface-Catalyzed Oxygen Exchange during Mineral Carbonation in Nanoscale Water Films." Journal of Physical Chemistry C 123, no. 20:12871-12885. PNNL-SA-141756. doi:10.1021/acs.jpcc.9b02215

Miller Q., J. Kaszuba, H.T. Schaef, M.E. Bowden, B.P. McGrail, and K.M. Rosso. 2019. "Anomalously low activation energy of nanoconfined MgCO3 precipitation." Chemical Communications 55, no. 48:6835-6837. PNNL-SA-141004. doi:10.1039/c9cc01337g

Mo R., F. Li, X. Tan, P. Xu, R. Tao, G. Shen, and X. Lu, et al. 2019. "High-quality Mesoporous Graphene Particles as High-energy and Fast-charging Anodes for Lithium-ion Batteries." Nature Communications 10, no. 1:1474. PNNL-SA-143544. doi:10.1038/s41467-019-09274-y

Muller K., H. Foerstendorf, R. Steudtner, S. Tsushima, M. Kumke, G. Lefevre, and J. Rothe, et al. 2019. "Interdisciplinary Round-Robin Test on Molecular Spectroscopy of the U(VI) Acetate System." ACS Omega 4, no. 5:8167-8177. PNNL-SA-143380. doi:10.1021/acsomega.9b00164

Murugesan V., M.J. Gray, M.F. Guo, H.M. Job, L. Kovarik, A. Devaraj, and S. Thevuthasan, et al. 2019. "Thermally Activated Nucleation and Growth of Cobalt and Nickel Oxide Nanoparticles on Porous Silica." Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 37, no. 3:Article No. 031101. PNNL-SA-121414. doi:10.1116/1.5080448

Myers T.L., R.G. Tonkyn, J.S. Loring, A.M. Oeck, C.A. Banach, R.M. Francis, and Y. Su, et al. 2019. "Accurate Optical Constants for Liquids in the Near-Infrared: Improved Methods for Obtaining the n and k Constants from 1 to 4 Microns." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XX, April 14-18, 2019, Baltimore, MD. Proceedings of the SPIE, edited by JA Guicheteau and CR Howle, 11010, Article No. 11010O. Bellingham, Washington:SPIE. PNNL-SA-142990. doi:10.1117/12.2519499

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Scafetta M., Z. Yang, S.R. Spurgeon, M.E. Bowden, T.C. Kaspar, S.M. Heald, and S.A. Chambers. 2019. "Epitaxial growth and atomic arrangement in Fe2CrO4 on crystal symmetry matched (001) MgAl2O4." Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 37, no. 3:Article number 031511. PNNL-SA-141354. doi:10.1116/1.5093537

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Semrouni D., H. Wang, S.B. Clark, C.I. Pearce, K. Page, G.K. Schenter, and D.J. Wesolowski, et al. 2019. "Resolving Local Configurational Contributions to X-ray and Neutron Radial Distribution Functions Within Solutions of Concentrated Electrolytes - A Case Study of Concentrated NaOH." Physical Chemistry Chemical Physics. PCCP 21, no. 13:6828-6838. PNNL-SA-139609. doi:10.1039/c8cp06802j

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Song X., X. Chen, M. Ye, Z. Dai, G.E. Hammond, and J.M. Zachara. 2019. "Delineating Facies Spatial Distribution by Integrating Ensemble Data Assimilation and Indicator Geostatistics with Level-Set Transformation." Water Resources Research 55, no. 4:2652-2671. PNNL-SA-141921. doi:10.1029/2018WR023262

Sun C., K. Zhao, Y. He, J. Zheng, W. Xu, C. Zhang, and X. Wang, et al. 2019. "Interconnected Vertically Stacked 2D-MoS2 for Ultrastable Cycling of Rechargeable Li-Ion Battery." ACS Applied Materials & Interfaces 11, no. 23:20762-20769. PNNL-SA-138453. doi:10.1021/acsami.9b02359

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Szecsody J.E., M.J. Truex, N. Qafoku, J.P. McKinley, K.A. Ivarson, and S. Di Pietro. 2019. "Persistence of Chromate in Vadose Zone and Aquifer Sediments in Hanford, Washington." Science of the Total Environment 676. PNNL-SA-141530. doi:10.1016/j.scitotenv.2019.04.173

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Tran B.L., J.L. Fulton, J.C. Linehan, M. Balasubramanian, J.A. Lercher, and R.M. Bullock. 2019. "Operando XAFS Studies on Rh(CAAC)-Catalyzed Arene Hydrogenation." ACS Catalysis 9, no. 5:4106-4114. PNNL-SA-139703. doi:10.1021/acscatal.8b04929

Uhnak N.E., S.S. Morrison, M.J. O'Hara, N.J. Murray, M. Bartsch, H.S. Edwards, and J.W. Grate. 2019. "Manipulation of Mass Transport Rates using Bead-in-a-tube Method." Journal of Chromatography A 1586. PNNL-SA-138620. doi:10.1016/j.chroma.2018.12.002

Utami S.R., F. Mees, M. Dumon, N. Qafoku, and E. Van Ranst. 2019. "Charge fingerprint in relation to mineralogical composition of Quaternary volcanic ash along a climatic gradient on Java Island, Indonesia." CATENA 172. PNNL-SA-135121. doi:10.1016/j.catena.2018.09.024

Wang A., Y. Chen, E.D. Walter, N.M. Washton, D. Mei, T. Varga, and Y. Wang, et al. 2019. "Unraveling the mysterious failure of Cu/SAPO-34 selective catalytic reduction catalysts." Nature Communications 10, no. 1:Article No. 1137. PNNL-SA-138654. doi:10.1038/s41467-019-09021-3

Wang H., T.R. Graham, E. Mamontov, K. Page, A.G. Stack, and C.I. Pearce. 2019. "Countercations Control Local Specific Bonding Interactions and Nucleation Mechanisms in Concentrated Water-in-Salt Solutions." Journal of Physical Chemistry Letters 10, no. 12:3318-3325. PNNL-SA-142833. doi:10.1021/acs.jpclett.9b01416

Wang J., J.E. Shilling, J. Liu, A. Zelenyuk-Imre, D.M. Bell, M.D. Petters, and R.M. Thalman, et al. 2019. "Cloud droplet activation of secondary organic aerosol is mainly controlled by molecular weight, not water solubility." Atmospheric Chemistry and Physics 19, no. 2:941-954. PNNL-SA-134664. doi:10.5194/acp-19-941-2019

Wang L., K.A. Stoerzinger, L. Chang, X. Yin, Y. Li, C. Tang, and E. Jia, et al. 2019. "Strain Effect on Oxygen Evolution Reaction Activity of Epitaxial NdNiO3 Thin Films." ACS Applied Materials & Interfaces 11, no. 13:12941-12947. PNNL-SA-139978. doi:10.1021/acsami.8b21301

Wang L., Y. Du, L. Chang, K.A. Stoerzinger, M.E. Bowden, J. Wang, and S.A. Chambers. 2019. "Erratum: "Band alignment and electrocatalytic activity at the p-n La0.88Sr0.12FeO3/SrTiO3(001) heterojunction" [Appl. Phys. Lett. 112, 261601 (2018)]." Applied Physics Letters 114, no. 11:Article No. 119901. PNNL-SA-143811. doi:10.1063/1.5094172

Wang L., Y. Du, P.V. Sushko, M.E. Bowden, K.A. Stoerzinger, S.M. Heald, and M. Scafetta, et al. 2019. "Hole-Induced Electronic and Optical Transitions in La1-xSrxFeO3 Epitaxial Thin Films." Physical Review Materials 3, no. 2:Article Number 025401. PNNL-SA-139953. doi:10.1103/PhysRevMaterials.3.025401

Wang M., N.R. Jaegers, M. Lee, C. Wan, J.Z. Hu, H. Shi, and D. Mei, et al. 2019. "Genesis and Stability of Hydronium Ions in Zeolite Channels." Journal of the American Chemical Society 141, no. 8:3444-3455. PNNL-SA-136963. doi:10.1021/jacs.8b07969

Warneke J., M. Rohdenburg, J.K. Liu, E. Johnson, X. Ma, R. Kumar, and P. Su, et al. 2019. "Gas Phase Fragmentation of Adducts Between Dioxygen and closo-Borate Radical Anions." International Journal of Mass Spectrometry 436. PNNL-SA-136763. doi:10.1016/j.ijms.2018.11.005

Warneke J., S.Z. Konieczka, G. Hou, E. Apra, C. Kerpen, F. Keppner, and T.C. Schaefer, et al. 2019. "Properties of perhalogenated {closo-B10} and {closo-B11} multiply charged anions and a critical comparison with {closo-B12} in the gas and the condensed phase." Physical Chemistry Chemical Physics 21, no. 11:5903-5915. PNNL-SA-135487. doi:10.1039/C8CP05313H

Wojcik R., G. Nagy, I.K. Attah, I.K. Webb, V. Garimella, K.K. Weitz, and A.L. Hollerbach, et al. 2019. "SLIM Ultrahigh Resolution Ion Mobility Spectrometry Separations of Isotopologues and Isotopomers Reveal Mobility Shifts due to Mass Distribution Changes." Analytical Chemistry 91, no. 18:11952-11962. PNNL-SA-147394. doi:10.1021/acs.analchem.9b02808

Wong B.M., G.B. Collinge, A. Hensley, Y. Wang, and J. 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, no. 2:Article No. 100538. PNNL-SA-147348. doi:10.1016/j.progsurf.2019.04.001

Wu Z., D. Xiao, J. Lee, P. Ren, M. Song, and D. Li. 2019. "Palladium nanostructures with well-controlled morphologies obtained by one-pot and one-step polyol method." Journal of Crystal Growth 521. PNNL-SA-143780. doi:10.1016/j.jcrysgro.2019.05.028

Xiao B., T. Rojo, and X. Li. 2019. "Hard Carbon as Sodium-Ion Battery Anodes: Progress and Challenges." ChemSusChem 12, no. 1:133-144. PNNL-SA-137454. doi:10.1002/cssc.201801879

Yang G., S.A. Akhade, X. Chen, Y. Liu, M. Lee, V. Glezakou, and R.J. Rousseau, et al. 2019. "The Nature of Hydrogen Adsorption on Platinum in the Aqueous Phase." Angewandte Chemie International Edition 58, no. 11:3527-3532. PNNL-SA-134839. doi:10.1002/anie.201813958

Yang L., J. Shui, L. Du, Y. Shao, J. Liu, L. Dai, and Z. Hu. 2019. "Carbon-based metal-free ORR electrocatalysts for fuel cells: past, present and future." Advanced Materials 31, no. 13:Article No. 1804799. PNNL-SA-135987. doi:10.1002/adma.201804799

Yang Z., D. Hrovat, G. Hou, W. Borden, and X. Wang. 2019. "Negative Ion Photoelectron Spectroscopy Confirms the Prediction of a Singlet Ground State for the 1,8-Naphthoquinone Diradical." Journal of Physical Chemistry A 123, no. 14:3142-3148. PNNL-SA-139614. doi:10.1021/acs.jpca.8b11063

Yu Y., T. He, A. Wu, Q. Pei, A.J. Karkamkar, S. Autrey, and P. Chen. 2019. "Reversible hydrogen uptake/release over sodium phenoxide-cyclohexanolae pair." Angewandte Chemie International Edition 58, no. 10:3102-3107. PNNL-SA-132154. doi:10.1002/anie.201810945

Yu Z., A. Wang, S. Liu, Y. Yao, Z. Sun, X. Li, and Y. Liu, et al. 2019. "Hydrodeoxygenation of phenolic compounds to cycloalkanes over supported nickel phosphides." Catalysis Today 319. PNNL-SA-140474. doi:10.1016/j.cattod.2018.05.012

Zarzycki P.P., and K.M. Rosso. 2019. "Energetics and the Role of Defects in Fe(II)-Catalyzed Goethite Recrystallization from Molecular Simulations." ACS Earth and Space Chemistry 3, no. 2:262-272. PNNL-SA-142608. doi:10.1021/acsearthspacechem.8b00175

Zhang L., W. Jiang, W. Ai, L. Chen, C. Pan, and T. Wang. 2019. "Grain size variation in nanocrystalline silicon carbide irradiated at elevated temperatures." Journal of the American Ceramic Society 102, no. 1:448-455. PNNL-SA-133139. doi:10.1111/jace.15895

Zheng J., J. Ye, M.A. Ortuno, J.L. Fulton, O.Y. Gutierrez-Tinoco, D.M. Camaioni, and R.K. Motkuri, et al. 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, no. 23:9292-9304. PNNL-SA-136642. doi:10.1021/jacs.9b02902

Zhou T., E. Martinez Baez, G.K. Schenter, and A.E. Clark. 2019. "PageRank as a Collective Variable to Study Complex Chemical Transformations and Their Energy Landscapes." Journal of Chemical Physics 150, no. 13:Article No. 134102. PNNL-SA-132298. doi:10.1063/1.5082648

Zhu G., H. Reiner, H. Colfen, and J.J. De Yoreo. 2019. "Addressing Some of the Technical Challenges Associated with Liquid Phase S/TEM Studies of Particle Nucleation, Growth and Assembly." Micron 118. PNNL-SA-142839. doi:10.1016/j.micron.2018.12.001

2018

Abgrall N., I.J. Arnquist, F.T. Avignone, A.S. Barabash, F. Bertrand, A.W. Bradley, and V. Brudanin, et al. 2018. "The Processing of Enriched Germanium for the Majorana Demonstrator and R&D for a Next Generation Double-Beta Decay Experiment." Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 877. PNNL-SA-123765. doi:10.1016/j.nima.2017.09.036

Ahn S., J.W. Grate, and E.F. Darve. 2018. "Investigating the Role of Non-Covalent Interactions in Conformation and Assembly of Triazine-Based Sequence-Defined Polymers." Journal of Chemical Physics 149, no. 7:072330. PNNL-SA-132292. doi:10.1063/1.5024552

Ai W., L. Zhang, W. Jiang, J. Peng, and T. Wang. 2018. "Raman study of InxGa1-xN (x = 0.32-0.9) films irradiated with Xe ions at room temperature and 773 K." Nuclear Instruments and Methods in Physics Research B 415. PNNL-SA-126284. doi:10.1016/j.nimb.2017.11.003

Albuquerque G.H., K. Kim, J.I. Lopez, A. Devaraj, S. Manandhar, Y. Liu, and J. Guo, et al. 2018. "Multimodal characterization of solution-processed Cu3SbS4 absorbers for thin film solar cells." Journal of Materials Chemistry A 6, no. 18:8682-8692. PNNL-SA-136825. doi:10.1039/c8ta00001h

Allendorf M.D., Z. Hulvey, T. Gennett, A. Alauddin, S. Autrey, J. Camp, and E. Cho, et al. 2018. "An Assessment of Strategies for the Development of Solid-State adsorbents for Vehicular Hydrogen Storage." Energy and Environmental Science 11, no. 10:2784-2812. PNNL-SA-132915. doi:10.1039/c8ee01085d

Alvis S.I., I.J. Arnquist, F.T. Avignone, A. Barabash, C.J. Barton, F. Bertrand, and V. Brudanin, et al. 2018. "First Limit on the direct detection of Lightly Ionizing Particles for Electric Charge as Low as e/1000 with the MAJORANA DEMONSTRATOR." Physical Review Letters 120, no. 21:Article number 211804. PNNL-SA-132160. doi:10.1103/PhysRevLett.120.211804

Bagus P.S., C.J. Nelin, M. Sassi, E.S. Ilton, and K.M. Rosso. 2018. "Consequences of Realistic Embedding for the L2,3 Edge XAS of a-Fe2O3." Physical Chemistry Chemical Physics. PCCP 20, no. 6:4396-4403. PNNL-SA-131666. doi:10.1039/c7cp06926j

Bagus P.S., E.S. Ilton, and C.J. Nelin. 2018. "Extracting Chemical Information from XPS Spectra: A Perspective." Catalysis Letters 148, no. 7:1785-1802. PNNL-SA-137833. doi:10.1007/s10562-018-2417-1

Balaguru K., G. Foltz, L. Leung, S.M. Hagos, and D.R. Judi. 2018. "On the use of ocean dynamic temperature for hurricane intensity forecasting." Weather and Forecasting 33, no. 2:411-418. PNNL-SA-129386. doi:10.1175/WAF-D-17-0143.1

Balaguru K., G.R. Foltz, and L. Leung. 2018. "Increasing magnitude of hurricane rapid intensification in the central and eastern tropical Atlantic." Geophysical Research Letters 45, no. 9:4238-4247. PNNL-SA-133854. doi:10.1029/2018GL077597

Balaguru K., S. Doney, L. Bianucci, P.J. Rasch, L. Leung, J. Yoon, and I.D. Lima. 2018. "Linking deep convection and phytoplankton blooms in the northern Labrador Sea in a changing climate." PLoS One 13, no. 1:Article No. e0191509. PNNL-SA-131791. doi:10.1371/journal.pone.0191509

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Stegen J.C., T.C. Johnson, J.K. Fredrickson, M.J. Wilkins, A.E. Konopka, W.C. Nelson, and E.V. Arntzen, et al. 2018. "Influences of organic carbon speciation on hyporheic corridor biogeochemistry and microbial ecology." Nature Communications 9, no. 1:Article No. 585. PNNL-SA-129526. doi:10.1038/s41467-018-02922-9

Stevens A.J., L. Luzi, H. Yang, L. Kovarik, B.L. Mehdi, A.V. Liyu, and M. Gehm, et al. 2018. "A Sub-Sampled Approach to Extremely Low-Dose STEM." Applied Physics Letters 112, no. 4:Article No. 043104. PNNL-SA-126577. doi:10.1063/1.5016192

Stoerzinger K.A., L. Wang, Y. Ye, M.E. Bowden, E.J. Crumlin, Y. Du, and S.A. Chambers. 2018. "Linking surface chemistry to photovoltage in Sr-substituted LaFeO3 for water oxidation." Journal of Materials Chemistry A 6, no. 44:22170-22178. PNNL-SA-135655. doi:10.1039/c8ta05741a

Stoerzinger K.A., M. Favaro, P.N. Ross, J. Yano, Z. Liu, Z. Hussain, and E.J. Crumlin. 2018. "Probing the Surface of Platinum during the Hydrogen Evolution Reaction in Alkaline Electrolyte." Journal of Physical Chemistry B 122, no. 2:864-870. PNNL-SA-127572. doi:10.1021/acs.jpcb.7b06953

Stoerzinger K.A., Y. Du, K. Ihm, K.L. Zhang, J. Cai, J. Diulus, and R.T. Frederick, et al. 2018. "Impact of Sr-Incorporation on Cr Oxidation and Water Dissociation in La(1-x)SrxCrO3." Advanced Materials Interfaces 5, no. 6:1701363. PNNL-SA-129951. doi:10.1002/admi.201701363

Stoerzinger K.A., Y. Du, S.R. Spurgeon, L. Wang, D.M. Kepaptsoglou, Q.M. Ramasse, and E.J. Crumlin, et al. 2018. "Chemical and Electronic Structure Analysis of a SrTiO3 (001) / p-Ge (001) Hydrogen Evolution Photocathode." MRS Communications 8, no. 2:446-452. PNNL-SA-131770. doi:10.1557/mrc.2018.38

Su P., V. Prabhakaran, G.E. Johnson, and J. Laskin. 2018. "In situ Infrared Spectroelectrochemistry for Understanding Structural Transformations of Precisely Defined Ions at Electrochemical Interfaces." Analytical Chemistry 90, no. 18:10935-10942. PNNL-SA-137370. doi:10.1021/acs.analchem.8b02440

Sun Q., B.A. Aguila, L.D. Earl, C.W. Abney, L. Wojtas, P.K. Thallapally, and S. Ma. 2018. "Covalent Organic Frameworks as a Decorating Platform for Utilization and Affinity Enhancement of Chelating Sites for Radionuclide Sequestration." Advanced Materials 30, no. 20:Article Number 1705479. PNNL-SA-132450. doi:10.1002/adma.201705479

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Tao J., R.J. Fijneman, J. Wan, S. Prajapati, K. Mukherjee, A. Fernandez-Martinez, and J. Moradian-Oldak, et al. 2018. "Control of Calcium Phosphate Nucleation and Transformation through Interactions of Enamelin and Amelogenin Exhibits the “Goldilocks Effect”." Crystal Growth & Design 18, no. 12:7391-7400. PNNL-SA-136440. doi:10.1021/acs.cgd.8b01066

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Tonks M., D. Andersson, R. Devanathan, R. Dubourg, A.A. El-Azab, M. Freyss, and F. Iglesias, et al. 2018. "Unit Mechanisms of Fission Gas Release: Current Understanding and Future Needs." Journal of Nuclear Materials 504. PNNL-SA-129199. doi:10.1016/j.jnucmat.2018.03.016

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Truex M.J., J.E. Szecsody, C.E. Strickland, D.A. St John, M. Snyder, C.T. Resch, and M.D. Miller, et al. 2018. Deep Vadose Zone Treatability Test of Uranium Reactive Gas Sequestration for the Hanford Central Plateau: Final Report. PNNL-27773. Richland, WA: Pacific Northwest National Laboratory. Deep Vadose Zone Treatability Test of Uranium Reactive Gas Sequestration for the Hanford Central Plateau: Final Report

Varga T., T.C. Droubay, L. Kovarik, D. Hu, and S.A. Chambers. 2018. "Controlling the structure and ferroic properties of strained epitaxial NiTiO3 thin films on sapphire by post-deposition annealing." Thin Solid Films 662. PNNL-SA-129160. doi:10.1016/j.tsf.2018.07.030

Vitova T., I. Pidchenko, S. Biswas, G. Beridze, P. Dunne, D. Schild, and Z. Wang, et al. 2018. "Dehydration of the uranyl peroxide studtite, [UO2(?2-O2)(H2O)2]·2H2O, affords a drastic change in the electronic structure: A combined xray spectroscopic and theoretical analysis." Inorganic Chemistry 57, no. 4:1735-1743. PNNL-SA-130840. doi:10.1021/acs.inorgchem.7b02326

Voss J., Y. Xiang, G.B. Collinge, D.E. Perea, L. Kovarik, J. 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, no. 9-11:1016-1023. PNNL-SA-129636. doi:10.1007/s11244-018-0938-x

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Wang L., Y. Du, L. Chang, K.A. Stoerzinger, M.E. Bowden, J. Wang, and S.A. Chambers. 2018. "Band Alignment and Electrocatalytic Activity at the p-n La0.88Sr0.12FeO3 / SrTiO3(001) Heterojunction." Applied Physics Letters 112, no. 26:261601. PNNL-SA-135023. doi:10.1063/1.5030897

Wang S., S. Zheng, Z. Wang, W. Cui, H. Zhang, L. Yang, and Y. Zhang, et al. 2018. "Superior lithium adsorption and required magnetic separation behavior of iron-doped lithium ion-sieves." Chemical Engineering Journal 332. PNNL-SA-131517. doi:10.1016/j.cej.2017.09.055

Wang Y., D. Lu, M.E. Bowden, P.Z. El-Khoury, K. Han, Z. Deng, and J. Xiao, et al. 2018. "Mechanism of Formation of Li7P3S11 Solid Electrolytes through Liquid Phase Synthesis." Chemistry of Materials 30, no. 3:990-997. PNNL-SA-130713. doi:10.1021/acs.chemmater.7b04842

Wang Y., N. Wei, C. Zhang, T.W. Wietsma, A.H. Bonneville, X. Li, and M. Li, et al. 2018. "Experimental study of drying effects during supercritical CO2 displacement in a pore network." Microfluidics and Nanofluidics 22, no. 9:101. PNNL-SA-137617. doi:10.1007/s10404-018-2122-9

Weber R.S., and J.E. Holladay. 2018. "Modularized Production of Value-Added Products and Fuels from Distributed Waste Carbon-Rich Feedstocks." Engineering 4, no. 3:330-335. PNNL-SA-135520. doi:10.1016/j.eng.2018.05.012

Weber R.S., J.E. Holladay, C. Jenks, E.A. Panisko, L.J. Snowden-Swan, M. Ramirez-Corresdores, and B. Baynes, et al. 2018. "Modularized production of fuels and other value-added products from distributed, wasted, or stranded feedstocks." Wiley Interdisciplinary Reviews: Energy and Environment 7, no. 6:e308. PNNL-SA-131136. doi:10.1002/wene.308

Wildman A., E. Martinez Baez, J.L. Fulton, G.K. Schenter, C.I. Pearce, A.E. Clark, and X. Li. 2018. "Anticorrelated contributions to pre-edge features of aluminate near-edge X-ray absorption spectroscopy in concentrated electrolytes." Journal of Physical Chemistry Letters 9, no. 10:2444-2449. PNNL-SA-132753. doi:10.1021/acs.jpclett.8b00642

Woicik J.C., J. Ablett, N. Quackenbush, A. Rumaiz, C.R. Weiland, T.C. Droubay, and S.A. Chambers. 2018. "Experimental assignment of many-electron excitations in the photoionization of NiO." Physical Review. B, Condensed Matter and Materials Physics 97, no. 24:245142. PNNL-SA-131960. doi:10.1103/PhysRevB.97.245142

Wunschel D.S., J.R. Hutchison, B. Kaiser, E.D. Merkley, B.M. Hess, A. Lin, and M.G. Warner. 2018. "Proteomic signatures differentiating Bacillus anthracis Sterne sporulation on soil relative to laboratory media." Analyst 143, no. 1:123-132. PNNL-SA-113414. doi:10.1039/c7an01412k

Xiong W., R. Wells, J.A. Horner, H.T. Schaef, P. Skemer, and D.E. Giammar. 2018. "CO2 Mineral Sequestration in Naturally Porous Basalt." Environmental Science & Technology Letters 5, no. 3:142-147. PNNL-SA-133317. doi:10.1021/acs.estlett.8b00047

Xue N., A. Vjunov, S. Schallmoser, J.L. Fulton, M. Sanchez-Sanchez, J.Z. Hu, and D. Mei, et al. 2018. "Hydrolysis of zeolite framework aluminum and its impact on acid catalyzed alkane reactions." Journal of Catalysis 365. PNNL-SA-139124. doi:10.1016/j.jcat.2018.07.015

Yan A., C. Liu, Y. Liu, and F. Xu. 2018. "Effect of ion exchange on the rate of aerobic microbial oxidation of ammonium in hyporheic zone sediments." Environmental Science and Pollution Research 25, no. 9:8880-8887. PNNL-SA-126507. doi:10.1007/s11356-018-1217-x

Yan F., L. Liu, T.R. Walsh, Y. Gong, P.Z. El-Khoury, Y. Zhang, and Z. Zhu, et al. 2018. "Controlled synthesis of highly-branched plasmonic gold nanoparticles through peptoid engineering." Nature Communications 9. PNNL-SA-118537. doi:10.1038/s41467-018-04789-2

Yan Z., B. Bond-Lamberty, K. Todd-Brown, V.L. Bailey, S. Li, C. Liu, and C. Liu. 2018. "A moisture function of soil heterotrophic respiration that incorporates microscale processes." Nature Communications 9, no. 1:Article No. 2562. PNNL-SA-126718. doi:10.1038/s41467-018-04971-6

Yang Z., P. Ong, Y. He, L. Wang, M.E. Bowden, W. Xu, and T.C. Droubay, et al. 2018. "Direct Visualization of Li Dendrite Effect on LiCoO2 Cathode by In Situ TEM." Small 14, no. 52:1803108. PNNL-SA-135382. doi:10.1002/smll.201803108

Yu C., S.I. Alvis, I.J. Arnquist, F.T. Avignone, A.S. Barabash, C.J. Barton, and F. Bertrand, et al. 2018. "The Majorana Demonstrator Status and Initial Results." In 16th International Symposium on Capture-Gamma Ray Spectrum and Related Topics (CGS16). EPJ Web of Conferences, 178, Article No. 01006. Paris:EDP Sciences. PNNL-SA-133241. doi:10.1051/epjconf/201817801006

Yu L., N.L. Canfield, S. Chen, H. Lee, X. Ren, M.H. Engelhard, and Q. Li, et al. 2018. "Enhanced Stability of Lithium Metal Anode by using a 3D Porous Nickel Substrate." ChemElectroChem 5, no. 5:761-769. PNNL-SA-130543. doi:10.1002/celc.201701250

Yu L., S. Chen, H. Lee, L. Zhang, M.H. Engelhard, Q. Li, and S. Jiao, et al. 2018. "A Localized High-Concentration Electrolyte with Optimized Solvents and Lithium Difluoro(oxalate)borate Additive for Stable Lithium Metal Batteries." ACS Energy Letters 3, no. 9:2059-2067. PNNL-SA-134778. doi:10.1021/acsenergylett.8b00935

Yu X., J. Yao, D.B. Lao, D.J. Heldebrant, Z. Zhu, D. Malhotra, and M. Nguyen, et al. 2018. "Mesoscopic Structure Facilitates Rapid CO2 Transport and Reactivity in CO2 Capture Solvents." The Journal of Physical Chemistry Letters 9, no. 19:5765-5771. PNNL-SA-129707. doi:10.1021/acs.jpclett.8b02231

Yu Z., S. Shang, Y. Gao, D. Wang, X. Li, Z. Liu, and D. Wang. 2018. "A quaternary sodium superionic conductor - Na10.8Sn1.9PS11.8." Nano Energy 47. PNNL-SA-136565. doi:10.1016/j.nanoen.2018.01.046

Yu Z., Y. Wang, S. Liu, Y. Yao, Z. Sun, X. Li, and Y. Liu, et al. 2018. "Aqueous Phase Hydrodeoxygenation of Phenol over Ni3P-CePO4 Catalysts." Industrial Engineering Chemistry Research 57, no. 31:10216-10225. PNNL-SA-135450. doi:10.1021/acs.iecr.8b01606

Zaveri R.A., J.E. Shilling, A. Zelenyuk-Imre, J. Liu, D.M. Bell, E. D'Ambro, and C. Gaston, et al. 2018. "Growth kinetics and size distribution dynamics of viscous secondary organic aerosol." Environmental Science & Technology 52, no. 3:1191-1199. PNNL-SA-128966. doi:10.1021/acs.est.7b04623

Zhang J., J. Zhao, W. Jiang, X. Guan, H. Peng, Z. Zhu, and T. Wang. 2018. "Formation of bubbles and blisters in hydrogen ion implanted polycrystalline tungsten." Radiation Effects and Defects in Solids 173, no. 11-12:1027-1036. PNNL-SA-138548. doi:10.1080/10420150.2018.1531411

Zhang J., W. Jiang, Z. Zhu, L. Shao, L. Price, J. Zhao, and T. Wang. 2018. "Thermal Annealing Behavior of Hydrogen and Surface Topography of H2+ Ion Implanted Tungsten." Journal of Nuclear Science and Technology 55, no. 7:703-708. PNNL-SA-131482. doi:10.1080/00223131.2018.1428126

Zhang K.L., G. Li, S.R. Spurgeon, L. Wang, P. Yan, Z. Wang, and M. Gu, et al. 2018. "Creation and Ordering of Oxygen Vacancies at WO3-d and Perovskite Interfaces." ACS Applied Materials & Interfaces 10, no. 20:17480-17486. PNNL-SA-132665. doi:10.1021/acsami.8b03278

Zhang L., W. Jiang, W. Ai, L. Chen, and T. Wang. 2018. "Ion irradiation induced nucleation and growth of nanoparticles in amorphous silicon carbide at elevated temperatures." Journal of Nuclear Materials 505. PNNL-SA-130017. doi:10.1016/j.jnucmat.2018.04.005

Zhang X., P.I. Huestis, C.I. Pearce, J.Z. Hu, K. Page, L.M. Anovitz, and A. Aleksandrov, et al. 2018. "Boehmite and Gibbsite Nanoplates for the Synthesis of Advanced Alumina Products." ACS Applied Nano Materials 1, no. 12:7115-7128. PNNL-SA-139693. doi:10.1021/acsanm.8b01969

Zhang X., Y. He, J. Liu, M.E. Bowden, L. Kovarik, S.X. Mao, and C. Wang, et al. 2018. "Accessing crystal-crystal interaction forces with oriented nanocrystal atomic force microscopy probes." Nature Protocols 13, no. 9:2005-2030. PNNL-SA-131668. doi:10.1038/s41596-018-0027-4

Zheng J., D. Barpaga, O.Y. Gutierrez, N.D. Browning, B.L. Mehdi, O. Farha, and J.A. Lercher, et al. 2018. "Exceptional Fluorocarbon Uptake with Mesoporous Metal-Organic Frameworks for Adsorption-Based Cooling Systems." ACS Applied Energy Materials 1, no. 11:5853-5858. PNNL-SA-132663. doi:10.1021/acsaem.8b01282

Zheng J., W. Zhang, F. Wang, and X. Yu. 2018. "Enabling liquid solvent structure analysis using hard x-ray absorption spectroscopy with a transferrable microfluidic reactor." Journal of Physics: Condensed Matter 30, no. 18:Article No. 18LT01. PNNL-SA-131647. doi:10.1088/1361-648X/aab87f

Zhou J., Y. Zhao, J. Zhang, Y. Wang, O.Y. Gutierrez-Tinoco, S. Wang, and Z. Li, et al. 2018. "A Nitrogen-doped PtSn Nanocatalyst Supported on Hollow Silica Spheres for Acetic Acid Hydrogenation." Chemical Communications 54, no. 64:8818-8821. PNNL-SA-135317. doi:10.1039/C8CC03649G

Zhou T., J. Bao, M. Huang, Z. Hou, E.V. Arntzen, X. Song, and S.F. Harding, et al. 2018. "Riverbed Hydrologic Exchange Dynamics in a Large Regulated River Reach." Water Resources Research 54, no. 4:2715-2730. PNNL-SA-123666. doi:10.1002/2017WR020508

Zhu C., Q. Shi, S. Fu, J. Song, D. Du, D. Su, and M.H. Engelhard, et al. 2018. "Core-Shell PdPb@Pd Aerogels with Multiply-Twinned Intermetallic Nanostructures: Facile Synthesis with Accelerated Gelation Kinetics and Their Enhanced Electrocatalytic Properties." Journal of Materials Chemistry A 6, no. 17:7517-7521. PNNL-SA-126185. doi:10.1039/c7ta11233e

Zhukova V., G. Pakhlova, P. Pakhlov, I. Adachi, H. Aihara, S. Al Said, and D.M. Asner, et al. 2018. "Angular analysis of the e+e- - D(*)+D*= process near the open charm threshold using initial-state radiation." Physical Review D 97, no. 1:Article No. 012002. PNNL-SA-131585. doi:10.1103/PhysRevD.97.012002

2017

Abellan P., T.H. Moser, I.T. Lucas, J.W. Grate, J.E. Evans, and N.D. Browning. 2017. "The Formation of Cerium (III) Hydroxide Nanoparticles by a Radiation Mediated Increase in Local pH." RSC Advances 7, no. 7:3831-3837. PNNL-SA-118826. doi:10.1039/c6ra27066b

Abgrall N., E. Aguayo, F.T. Avignone, A. Barabash, F. Bertrand, A.W. Bradley, and V. Brudanin, et al. 2017. "Muon Flux Measurements at the Davis campus of the Sanford Underground Research Facility with the Majorana Demonstrator veto system." Astroparticle Physics 93. PNNL-SA-107386. doi:10.1016/j.astropartphys.2017.01.013

Abgrall N., I.J. Arnquist, F.T. Avignone, A.S. Barabash, F. Bertrand, A.W. Bradley, and V. Brudanin, et al. 2017. "New Limits on Bosonic Dark Matter, Solar Axions, Pauli Exclusion Principle Violation, and Electron Decay from the MAJORANA DEMONSTRATOR." Physical Review Letters 118, no. 16:Article No. 161801. PNNL-SA-125678. doi:10.1103/PhysRevLett.118.161801

Abgrall N., I.J. Arnquist, F.T. Avignone, A.S. Barabash, F. Bertrand, M. Boswell, and A.W. Bradley, et al. 2017. "The Majorana Demonstrator Calibration System." Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 872. PNNL-SA-123114. doi:10.1016/j.nima.2017.08.005

Abreu Resende K., C.E. Hori, F. Bellot Noronha, H. Shi, O.Y. Gutierrez-Tinoco, D.M. Camaioni, and J.A. Lercher. 2017. "Aqueous phase hydrogenation of phenol catalyzed by Pd and PdAg on ZrO2." Applied Catalysis. A, General 548. PNNL-SA-125711. doi:10.1016/j.apcata.2017.08.005

Ahn S., J.W. Grate, and E.F. Darve. 2017. "Efficiently Sampling Conformations and Pathways Using the Concurrent Adaptive Sampling (CAS) Algorithm." Journal of Chemical Physics 147, no. 7:Article No. 074115. PNNL-SA-125912. doi:10.1063/1.4999097

Arnquist I.J., E.W. Hoppe, M. Bliss, and J.W. Grate. 2017. "Mass Spectrometric Determination of Uranium and Thorium in High Radiopurity Polymers using Ultra Low Background Electroformed Copper Crucibles for Dry Ashing." Analytical Chemistry 89, no. 5:3101-3107. PNNL-SA-122983. doi:10.1021/acs.analchem.6b04854

Arsenault E.A., D.A. Obenchain, T.A. Blake, S.A. Cooke, and S.E. Novick. 2017. "A study of the Conformational Isomerism of -lodobutane by High Resolution Rotational Spectroscopy." Journal of Molecular Spectroscopy 335. PNNL-SA-123377. doi:10.1016/j.jms.2017.03.014

Bagus P.S., C.J. Nelin, and E.S. Ilton. 2017. "The Effect of Symmetry on the U L3 NEXAFS of Octahedral Coordinated Uranium(VI)." Journal of Chemical Physics 146, no. 11:Article No. 114703. PNNL-SA-123334. doi:10.1063/1.4978481

Bagus P.S., C.J. Nelin, D. Hrovat, and E.S. Ilton. 2017. "Covalent Bonding In Heavy Metal Oxides." Journal of Chemical Physics 146, no. 13:Article No. 134706. PNNL-SA-123570. doi:10.1063/1.4979018

Bagus P.S., C.J. Nelin, E.S. Ilton, M. Sassi, and K.M. Rosso. 2017. "Analysis of X-ray adsorption edges: L2,3 edge of FeCl4-." Journal of Chemical Physics 147, no. 22:Article No. 224306. PNNL-SA-131505. doi:10.1063/1.5006223

Banerjee D., S.K. Elsaidi, and P.K. 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, no. 32:16611-16615. PNNL-SA-126512. doi:10.1039/c7ta02746j

Battu A.K., S. Manandhar, V. Shutthanandan, and C. Ramana. 2017. "Controlled Optical Properties via Chemical Composition Tuning in Molybdenum-Incorporated ß-Ga2O3 Nanocrystalline Films." Chemical Physics Letters 684. PNNL-SA-127814. doi:10.1016/j.cplett.2017.06.063

Bell D.M., D. Imre, S.T. Martin, S.T. Martin, and A. Zelenyuk-Imre. 2017. "The Properties and Behavior of alpha-Pinene Secondary Organic Aerosol Particles Exposed to Ammonia Under Dry Conditions." Physical Chemistry Chemical Physics. PCCP 19, no. 9:6497-6507. PNNL-SA-123149. doi:10.1039/c6cp08839b

Bhattacharya P., D.E. Prokopchuk, and M.T. 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. PNNL-SA-117030. doi:10.1016/j.ccr.2016.07.005

Bhattacharya P., Z.M. Heiden, E.S. Wiedner, S. Raugei, N.A. Piro, W.S. Kassel, and R.M. Bullock, et al. 2017. "Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH3 Complex." Journal of the American Chemical Society 139, no. 8:2916-2919. PNNL-SA-121628. doi:10.1021/jacs.7b00002

Bhattarai A., and P.Z. El-Khoury. 2017. "Imaging Localized Electric Fields with Nanometer Precision through Tip-Enhanced Raman Scattering." Chemical Communications 53, no. 53:7310-7313. PNNL-SA-125604. doi:10.1039/c7cc02593a

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Wang C., P. Yan, Z. Zhu, M.H. Engelhard, A. Devaraj, B.L. Mehdi, and M.I. Nandasiri, et al. 2017. "Multimodal and In-Situ Chemical Imaging of Critical Surfaces and Interfaces in Li Batteries." Journal of Surface Analysis 24, no. 2:141-150. PNNL-SA-125846.

Wang D., M.V. Sheridan, B. Shan, B.H. Farnum, S. Marquard, B.D. Sherman, and M.S. Eberhart, et al. 2017. "Layer-by-Layer Molecular Assemblies for Dye-Sensitized Photoelectrosynthesis Cells Prepared by Atomic Layer Deposition." Journal of the American Chemical Society 139, no. 41:14518-14525. PNNL-SA-125900. doi:10.1021/jacs.7b07216

Wang H., Q. Mu, R. Revia, K. Wang, X. Zhou, P. Pauzauskie, and S. Zhou, et al. 2017. "Chitosan-Gated Magnetic-Responsive Nanocarrier for Dual-Modal Optical Imaging, Switchable Drug Release, and Synergistic Therapy." Advanced Healthcare Materials 6, no. 6:Article No. 1601080. PNNL-SA-126395. doi:10.1002/adhm.201601080

Wang J., M.B. Toloczko, K. Kruska, D.K. Schreiber, D.J. Edwards, Z. Zhu, and J. Zhang. 2017. "Carbon Contamination During Ion Irradiation - Accurate Detection and Characterization of its Effect on Microstructure of Ferritic/Martensitic Steels." Scientific Reports 7, no. 1:Article No. 15813. PNNL-SA-129597. doi:10.1038/s41598-017-15669-y

Wang X. 2017. "Cluster Model Studies of Anion and Molecular Specificities via Electrospray Ionization Photoelectron Spectroscopy." Journal of Physical Chemistry A 121, no. 7:1389-1401. PNNL-SA-121345. doi:10.1021/acs.jpca.6b09784

Wang X., H. Shi, and J. Szanyi. 2017. "Controlling Selectivities in CO2 Reduction through Mechanistic Understanding." Nature Communications 8. PNNL-SA-123127. doi:10.1038/s41467-017-00558-9

Wang X., M. Zhang, J. Alvarado, S. Wang, M. Sina, B. Lu, and J. Bouwer, et al. 2017. "New Insights on the Structure of Electrochemically Deposited Lithium Metal and Its Solid Electrolyte Interphases via Cryogenic TEM." Nano Letters 17, no. 12:7606-7612. PNNL-SA-128910. doi:10.1021/acs.nanolett.7b03606

Wang Y., M.M. Zeinhom, M. Yang, R. Sun, S. Wang, J.N. Smith, and C. Timchalk, et al. 2017. "A 3D-Printed, Portable, Optical-Sensing Platform for Smartphones Capable of detecting the Herbicide 2,4-Dichlorophenoxyacetic Acid." Analytical Chemistry 89, no. 17:9339-9346. PNNL-SA-129156. doi:10.1021/acs.analchem.7b02139

Wang Y., Z. Li, M. Liu, D. Hu, Y. Lin, and J. Li. 2017. "Multiple-Targeted Graphene-based Nanocarrier for Intracellular Imaging of mRNAs." Analytica Chimica Acta 983. PNNL-SA-126440. doi:10.1016/j.aca.2017.07.017

Ward T.B., E. Miliordos, P.D. Carnegie, S.S. Xantheas, and M.A. Duncan. 2017. "Ortho-Para Interconversion in Cation-Water Complexes: The Case of V+(H2O) and Nb+(H2O) Clusters." Journal of Chemical Physics 146, no. 22:10.1063/1.4984826. PNNL-SA-124984. doi:10.1063/1.4984826

Wei X., W. Pan, W. Duan, A.M. Hollas, Z. Yang, B. Li, and Z. Nie, et al. 2017. "Materials and Systems for Organic Flow Batteries: Status and Challenges." ACS Energy Letters 2, no. 9:2187-2204. PNNL-SA-128015. doi:10.1021/acsenergylett.7b00650

Whyatt G.A., A. Zwoster, F. Zheng, R.J. Perry, B.R. Wood, I. Spiry, and C.J. Freeman, et al. 2017. "Measuring CO2 and N2O Mass Transfer into GAP-1 CO2-Capture Solvents at Varied Water Loadings." Industrial Engineering Chemistry Research 56, no. 16:4830-4836. PNNL-SA-123483. doi:10.1021/acs.iecr.7b00193

Xie W., Q. Feng, R. Srinivasan, A.J. Stevens, and N.D. Browning. 2017. "Acquisition of STEM Images by Adaptive Compressive Sensing." Microscopy and Microanalysis 23, no. S1:96-97. PNNL-SA-123983. doi:10.1017/S1431927617001167

Xie X., M. Wei, L. Du, Y. Nie, X. Qi, Y. Shao, and Z. Wei. 2017. "Enhancement in Kinetics of the Oxygen Reduction on a Silver Catalyst by Introduction of Interlaces and Defect-Rich Facets." Journal of Materials Chemistry A 5, no. 29:15390-15394. PNNL-SA-123249. doi:10.1039/C7TA03287K

Xu C., M. Lee, Y. Wang, D. Cantu Cantu, J. Li, V. Glezakou, and R.J. Rousseau. 2017. "Structural Rearrangement of Au-Pd Nanoparticles Under Reactions Conditions: An Ab Initio Molecular Dynamics Study." ACS Nano 11, no. 2:1649-1658. PNNL-SA-122190. doi:10.1021/acsnano.6b07409

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Xu J., H. Veeramani, N. Qafoku, G. Singh, M.V. Riquelme Breazeal, A. Pruden, and R.K. Kukkadapu, et al. 2017. "Efficacy of Acetate-Amended Biostimulation for Uranium Sequestration: Combined Analysis of Sediment/Groundwater Geochemistry and Bacterial Community Structure." Applied Geochemistry 78. PNNL-SA-123123. doi:10.1016/j.apgeochem.2016.12.024

Xu M., S.L. Riechers, E.S. Ilton, Y. Du, L. Kovarik, T. Varga, and B.W. Arey, et al. 2017. "Manganese-Calcium Intermixing Facilitates Heteroepitaxial Growth at the (10-14) Calcite-Water Interface." Chemical Geology 470. PNNL-SA-125533. doi:10.1016/j.chemgeo.2017.09.001

Xu Y., N.G. Petrik, R.S. Smith, B.D. Kay, and G.A. Kimmel. 2017. "Homogeneous Nucleation of Ice in Transiently-Heated, Supercooled Liquid Water Films." Journal of Physical Chemistry Letters 8, no. 23:5736-5743. PNNL-SA-129848. doi:10.1021/acs.jpclett.7b02685

Yan Z., C. Liu, Y. Liu, and V.L. Bailey. 2017. "Multiscale Investigation on Biofilm Distribution and its Impact on Macroscopic Biogeochemical Reaction Rates." Water Resources Research 53, no. 11:8698-8714. PNNL-SA-123939. doi:10.1002/2017WR020570

Yang X., T. Varga, C. Liu, and T.D. Scheibe. 2017. "What Can We Learn from In-Soil Imaging of A Live Plant: X-ray Computed Tomography and 3D Numerical Simulation of Root-Soil System." Rhizosphere 3, no. 2:259-262. PNNL-SA-124115. doi:10.1016/j.rhisph.2017.04.017

Yao J., D. Lao, X. Sui, Y. Zhou, S.K. Nune, X. Ma, and T. Troy, et al. 2017. "Two Coexisting Liquid Phases in Switchable Ionic Liquids." Physical Chemistry Chemical Physics. PCCP 19, no. 34:22627-22623. PNNL-SA-122167. doi:10.1039/C7CP03754F

Yao J., Y. Zhou, X. Sui, D. Lao, D.J. Heldebrant, Z. Zhu, and X. Yu. 2017. "Errata: Switchable 1, 8-diazabicycloundec-7-ene and 1-hexanol ionic liquid analyzed by liquid ToF-SIM." Surface Science Spectra 24, no. 1:018001. PNNL-SA-124584. doi:10.1116/1.4978877

Yuan C., R.S. Smith, and B.D. Kay. 2017. "Communication: Distinguishing between bulk and interface-enhanced crystallization in nanoscale films of amorphous solid water." Journal of Chemical Physics 146, no. 3:031102. PNNL-SA-122506. doi:10.1063/1.4974492

Zang H., W. Liu, T. Li, C. He, D. Yun, W. Jiang, and A. Devaraj, et al. 2017. "VACANCY EFFECTS ON THE FORMATION OF HELIUM AND KRYPTON CAVITIES IN 3C-SiC IRRADIATED AND ANNEALED AT ELEVATED TEMPERATURES." In Fusion Materials Semiannual Progress Report For Period Ending December 31, 2016, edited by Dl Clark. 67-68. Oak Ridge, Tennessee:Oak Ridge National Laboratory. PNNL-SA-124009.

Zarzycki P.P., and K.M. Rosso. 2017. "Stochastic Simulation of Isotopic Exchange Mechanisms for Fe(II)-Catalyzed Recrystallization of Goethite." Environmental Science & Technology 51, no. 13:7552-7559. PNNL-SA-129114. doi:10.1021/acs.est.7b01491

Zelenyuk A., J.M. Wilson, D.g. Imre, M.L. Stewart, G.G. Muntean, J. Storey, and V. Prikhodko, et al. 2017. "Detailed Characterization of Particulate Matter Emitted by Lean-Burn Gasoline Direct Injection Engine." International Journal of Engine Research 18, no. 5-6:560-572. PNNL-SA-114753. doi:10.1177/1468087416675708

Zelenyuk-Imre A., D. Imre, J.M. Wilson, D.M. Bell, K.J. Suski, M.B. Shrivastava, and J. Beranek, et al. 2017. "The Effect of Gas-phase Polycyclic Aromatic Hydrocarbons on the Formation and Properties of Biogenic Secondary Organic Aerosol Particles." Faraday Discussions 200. PNNL-SA-123471. doi:10.1039/C7FD00032D

Zhai Z., K. Kruska, M.B. Toloczko, and S.M. Bruemmer. 2017. "Precursor evolution and SCC initiation of cold-worked alloy 690 in simulated PWR primary water." In CORROSION 2017, March 29-30, 2017, New Orleans, Louisiana, Paper No. NACE-2017-9475. Houston, Tx, Texas:NACE International. PNNL-SA-121146.

Zhai Z., M.B. Toloczko, K. Kruska, and S.M. Bruemmer. 2017. "Precursor Evolution and Stress Corrosion Cracking Initiation of Cold-Worked Alloy 690 in Simulated Pressurized Water Reactor Primary Water." Corrosion 73, no. 10:1224-1236. PNNL-SA-125212. doi:10.5006/2470

Zhai Z., M.B. Toloczko, K. Kruska, D.K. Schreiber, and S.M. Bruemmer. 2017. "Grain boundary damage evolution and SCC initiation of cold-worked alloy 690 in simulated PWR primary water." In Proceedings of the 18th International Conference on Environmental Degradation of Materials in Nuclear Power Systems - Water Reactors (EDM 2017), edited by JH Jackson, D Paraventi and M Wright, 457-483. Cham:Springer. PNNL-SA-129136. doi:10.1007/978-3-319-67244-1_29

Zhang F., M. Wei, V.V. Viswanathan, B. Swart, Y. Shao, G. Wu, and C. Zhou. 2017. "3D Printing Technologies for Electrochemical Energy Storage Applications." Nano Energy 40. PNNL-SA-126437. doi:10.1016/j.nanoen.2017.08.037

Zhang H., P. Li, Z. Wang, X. Zhang, S. Zheng, and Y. Zhang. 2017. "In Situ synthesis of y-AlOOH and Synchronous Adsorption Separation of V(V) from Highly Concentrated Cr(VI) Multiplex Complex Solutions." ACS Sustainable Chemistry & Engineering 5, no. 8:6674-6681. PNNL-SA-128401. doi:10.1021/acssuschemeng.7b00918

Zhang H., S. Hwang, M. Wang, Z. Feng, S.G. Karakalos, L. Luo, and Z. Qiao, et al. 2017. "Single Atomic Iron Catalysts for Oxygen Reduction in Acidic Media: Particle Size Control and Thermal Activation." Journal of the American Chemical Society 139, no. 40:14143-14149. PNNL-SA-126535. doi:10.1021/jacs.7b06514

Zhang J., Z. Yang, I.A. Shkrob, R.S. Assary, S. Tung, B. Silcox, and W. Duan, et al. 2017. "Annulated dialkoxybenzenes as catholyte materials for nonaqueous redox flow batteries: achieving high chemical stability through bicyclic substitution." Advanced Energy Materials 7, no. 21:1701272. PNNL-SA-125834. doi:10.1002/aenm.201701272

Zhang L., L. Fu, H. Wang, and B. Yang. 2017. "Discovery of Cellulose Surface Layer Conformation by Nonlinear Vibrational Spectroscopy." Scientific Reports 7. PNNL-SA-120731. doi:10.1038/srep44319

Zhang X., X. Zhang, T.R. Graham, C.I. Pearce, B.L. Mehdi, A.T. N'Diaye, and S.N. Kerisit, et al. 2017. "Fast Synthesis of Gibbsite Nanoplates and Process Optimization using Box-Behnken Experimental Design." Crystal Growth & Design 17, no. 12:6801-6808. PNNL-SA-129361. doi:10.1021/acs.cgd.7b01400

Zhang X., Y. He, M.L. Sushko, J. Liu, L. Luo, J.J. De Yoreo, and S.X. Mao, et al. 2017. "Direction-Specific van der Waals Attraction Between Rutile TiO2 Nanocrystals." Science 356, no. 6336:434-437. PNNL-SA-122696. doi:10.1126/science.aah6902

Zhang X., Z. Shen, J. Liu, S.N. Kerisit, M.E. Bowden, M.L. Sushko, and J.J. De Yoreo, et al. 2017. "Direction-Specific Interaction Forces Underlying ZnO Crystal Growth by Oriented Attachment." Nature Communications 8. PNNL-SA-127665. doi:10.1038/s41467-017-00844-6

Zhao Z., H. Shi, C. Wan, M.Y. Hu, Y. Liu, D. Mei, and D.M. Camaioni, et al. 2017. "“On the Mechanism of Phenol Alkylation in Zeolite H-BEA Using In Situ Solid-State NMR Spectroscopy”." Journal of the American Chemical Society 139, no. 27:9178-9185. PNNL-SA-122818. doi:10.1021/jacs.7b02153

Zheng J., V.S. Vemuri, L. Estevez, P.K. Koech, T. Varga, D.M. Camaioni, and T.A. Blake, et al. 2017. "Pore-Engineered Metal-Organic Frameworks with Excellent Adsorption of Water and Fluorocarbon Refrigerant for Cooling Applications." Journal of the American Chemical Society 139, no. 31:10601-10604. PNNL-SA-124980. doi:10.1021/jacs.7b04872

Zheng Y., L. Kovarik, M.H. Engelhard, Y. 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, no. 29:15793-15803. PNNL-SA-125868. doi:10.1021/acs.jpcc.7b04312

Zhou T., M. Huang, J. Bao, Z. Hou, E.V. Arntzen, R.D. Mackley, and A.R. Crump, et al. 2017. "A New Approach to Quantify Shallow Water Hydrologic Exchanges in a Large Regulated River Reach." Water 9, no. 9:703. PNNL-SA-123562. doi:10.3390/w9090703

Zhou Y., X. Cheng, C.H. Yen, C.M. Wai, C. Wang, J. Yang, and Y. Lin. 2017. "Synthesis Of An Excellent Electrocatalyst For Oxygen Reduction Reaction With Supercritical Fluid: Graphene Cellular Monolith With Ultrafine And Highly Dispersive Multimetallic Nanoparticles." Journal of Power Sources 347. PNNL-SA-123457. doi:10.1016/j.jpowsour.2017.02.044

Zhu C., S. Fu, B. Xu, J. Song, Q. Shi, M.H. Engelhard, and X. Li, et al. 2017. "Sugar Blowing-induced Porous Cobalt Phosphide/nitrogen-doped Carbon Nanostructures With Enhanced Electrochemical Oxidation Performance Towards Water And Other Small Molecules." Small 13, no. 33:Article No. 1700796. PNNL-SA-123210. doi:10.1002/smll.201700796

Zhu C., S. Fu, J. Song, Q. Shi, D. Su, M.H. Engelhard, and X. Li, et al. 2017. "Self-Assembled Fe-N-Doped Carbon Nanotube Aerogels with Single-Atom Catalysis Feature as Highly Efficient Oxygen Reduction Electrocatalysts." Small 13, no. 15:Article No. 1603407. PNNL-SA-119038. doi:10.1002/smll.201603407

Zhu Y., and N.D. Browning. 2017. "The Role of Gas in Determining Image Quality and Resolution During In Situ Scanning Transmission Electron Microscopy Experiments." ChemCatChem 9, no. 18:3478-3485. PNNL-SA-126401. doi:10.1002/cctc.201700474

Zhu Y., P.V. Sushko, D. Melzer, E. Jensen, L. Kovarik, C. Ophus, and M. Sanchez-Sanchez, et al. 2017. "Formation of Oxygen Radical Sites on MoVNbTeOx by Cooperative Electron Redistribution." Journal of the American Chemical Society 139, no. 36:12342-12345. PNNL-SA-129307. doi:10.1021/jacs.7b05240

2016

Abellan Baeza P., L.R. Parent, N.M. Al Hasan, C. Park, I. Arslan, A.M. Karim, and J.E. Evans, et al. 2016. "Gaining Control over Radiolytic Synthesis of Uniform Sub-3-nanometer Palladium Nanoparticles: Use of Aromatic Liquids in the Electron Microscope." Langmuir 32, no. 6:1468-1477. PNNL-SA-108941. doi:10.1021/acs.langmuir.5b04200

Abgrall N., I.J. Arnquist, F.T. Avignone, A. Barabash, F. Bertrand, A.W. Bradley, and V. Brudanin, et al. 2016. "High voltage testing for the Majorana Demonstrator." Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 823. PNNL-SA-120182. doi:10.1016/j.nima.2016.04.006

Abgrall N., I.J. Arnquist, F.T. Avignone, A.S. Barabash, F. Bertrand, A.W. Bradley, and V. Brudanin, et al. 2016. "Search for Pauli exclusion principle violating atomic transitions and electron decay with a p-type point contact germanium detector." European Physical Journal C 76, no. 11:Article No. 619. PNNL-SA-123051. doi:10.1140/epjc/s10052-016-4467-0

Abgrall N., I.J. Arnquist, F.T. Avignone, H.O. Back, A.S. Barabash, F. Bertrand, and M. Boswell, et al. 2016. "The MAJORANA Demonstrator Radioassay Program." Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 828. PNNL-SA-115634. doi:10.1016/j.nima.2016.04.070

Alexander J.M., D.M. Bell, D. Imre, P. Kleiber, V.H. Grassian, and A. Zelenyuk. 2016. "Measurement of Size-dependent Dynamic Shape Factors of Quartz Particles in Two Flow Regimes." Aerosol Science and Technology 50, no. 8:870-879. PNNL-SA-114814. doi:10.1080/02786826.2016.1200006

Alexandrov V.Y., M.L. Sushko, D.K. Schreiber, S.M. Bruemmer, and K.M. Rosso. 2016. "Adsorption and diffusion of atomic oxygen and sulfur at pristine and doped Ni surfaces with implications for stress corrosion cracking." Corrosion Science 113. PNNL-SA-123692. doi:10.1016/j.corsci.2016.10.001

Alexopoulos K., M. Lee, Y. Liu, Y. Zhi, Y. Liu, M. Reyniers, and G.B. Marin, et al. 2016. "Anharmonicity and Confinement in Zeolites: Structure, Spectroscopy and Adsorption Free Energy of Ethanol in H-ZSM-5." Journal of Physical Chemistry C 120, no. 13:7172-7182. PNNL-SA-116157. doi:10.1021/acs.jpcc.6b00923

Andersen A., P.N. Reardon, S.S. Chacon, N. Qafoku, N.M. Washton, and M. Kleber. 2016. "Protein-mineral Interactions: Molecular Dynamics Simulations Capture Importance of Variations in Mineral Surface Composition and Structure." Langmuir 32, no. 24:6194-6209. PNNL-SA-116971. doi:10.1021/acs.langmuir.6b01198

Andersson M.P., S. Dobberschutz, K.K. Sand, D.J. Tobler, J.J. De Yoreo, and S.L. Stipp. 2016. "A Microkinetic Model of Calcite Step Growth." Angewandte Chemie International Edition 55, no. 37:11086-11090. PNNL-SA-122782. doi:10.1002/anie.201604357

Arnquist I.J., L. Thomas, J.W. Grate, M. Bliss, and E.W. Hoppe. 2016. "A Dry Ashing Assay Method for the Trace Determination of Th and U in Polymers Using Inductively Coupled Plasma Mass Spectrometry." Journal of Radioanalytical and Nuclear Chemistry 307, no. 3:1883-1890. PNNL-SA-110554. doi:10.1007/s10967-015-4343-7

Arsenault E.A., D.A. Obenchain, Y. Choi, T.A. Blake, S.A. Cooke, and S.E. Novick. 2016. "A Study of 2-Iodobutane by Rotational Spectroscopy." Journal of Physical Chemistry A 120, no. 36:7145-7151. PNNL-SA-118921. doi:10.1021/acs.jpca.6b06938

Asmussen R.M., J.J. Neeway, A.R. Lawter, A.D. Wilson, and N. Qafoku. 2016. "Silver Based Getters for 129-I Removal from Low Activity Wastes." Radiochimica Acta 104, no. 12:905-913. PNNL-SA-116202. doi:10.1515/ract-2016-2598

Asmussen R.M., J.J. Neeway, A.R. Lawter, T.G. Levitskaia, W.W. Lukens, and N. Qafoku. 2016. "The Function of Sn(II)-Apatite as a 99-Tc Immobilizing Agent." Journal of Nuclear Materials 480. PNNL-SA-114465. doi:10.1016/j.jnucmat.2016.09.002

Asthagiri A., D.A. Dixon, Z. Dohnalek, B.D. Kay, J.A. Rodriquez, R.J. Rousseau, and D. Stacchiola, et al. 2016. "Catalytic Chemistry on Oxide Nanostructures." In Oxide Materials at the Two-Dimensional Limit. Springer Series in Materials Science, edited by FP Netzer and A Fortunelli. 251-280. Cham:Springer International. PNNL-SA-110501.

Bacon D.H., N. Qafoku, Z. Dai, E. Keating, and C.F. Brown. 2016. "Modeling the Impact of Carbon Dioxide Leakage into an Unconfined, Oxidizing Carbonate Aquifer." International Journal of Greenhouse Gas Control 44, no. 2016:290-299. PNNL-SA-105184. doi:10.1016/j.ijggc.2015.04.008

Balaguru K., D.R. Judi, and L. Leung. 2016. "Future hurricane storm surge risk for the U.S. gulf and Florida coasts based on projections of thermodynamic potential intensity." Climatic Change 138, no. 1:99-110. PNNL-SA-114029. doi:10.1007/s10584-016-1728-8

Balaguru K., G.R. Foltz, L. Leung, and K. Emanuel. 2016. "Global warming-induced upper-ocean freshening and the intensification of super typhoons." Nature Communications 7. PNNL-SA-116242. doi:10.1038/ncomms13670

Balaguru K., L. Leung, J. Lu, and G.R. Foltz. 2016. "A meridional dipole in pre-monsoon Bay of Bengal tropical cyclone activity induced by ENSO." Journal of Geophysical Research. D. (Atmospheres) 121, no. 12:6954-6968. PNNL-SA-113075. doi:10.1002/2016JD024936

Banerjee D., C.M. Simon, A.M. Plonka, R.K. Motkuri, J. Liu, X. Chen, and B. Smit, et al. 2016. "Metal-Organic Framework with Optimal Adsorption, Separation, and Selectivity towards Xenon." Nature Communications 7. PNNL-SA-116761. doi:10.1038/ncomms11831

Banerjee D., D. Kim, M.J. Schweiger, A.A. Kruger, and P.K. Thallapally. 2016. "Removal of TcO4- ions from Solution: Materials and Future Outlook." Chemical Society Reviews 45, no. 10:2724-2739. PNNL-SA-117349. doi:10.1039/c5cs00330j

Baylon R.A., J. Sun, and Y. Wang. 2016. "Conversion of ethanol to 1,3-butadiene over Na doped ZnxZryOz mixed metal oxides." Catalysis Today 259, no. Part 2:446-452. PNNL-SA-115389. doi:10.1016/j.cattod.2015.04.010

Baylon R.A., J. Sun, K.J. 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, no. 28:4975-4978. PNNL-SA-116156. doi:10.1039/C5CC10528E

Bearden M.D., C.L. Davidson, J.A. Horner, D.J. Heldebrant, and C.J. Freeman. 2016. Techno-Economic Analysis of Integration of Low-Temperature Geothermal Resources for Coal-Fired Power Plants. PNNL-24879. Richland, WA: Pacific Northwest National Laboratory. Techno-Economic Analysis of Integration of Low-Temperature Geothermal Resources for Coal-Fired Power Plants

Behling R.S., M. Bliss, C.C. Cowles, R.T. Kouzes, A. Lintereur, S.M. Robinson, and E.R. Siciliano, et al. 2016. "Measurement and Comparison of the Light Output of Ni-doped 6LiF/ZnS for Use in Neutron Multiplicity Counting." In Nuclear Science Symposium and Medical Imaging Conference (NSS/MIC 2015), October 31-November 7, San Diego, California. Piscataway, New Jersey:IEEE. PNNL-SA-114810. doi:10.1109/NSSMIC.2015.7581840

Beiswenger T.N., T.L. Myers, C.S. Brauer, Y. Su, T.A. Blake, A.B. Ertel, and R.G. Tonkyn, et al. 2016. "Experimental Effects on IR Reflectance Spectra: Particle Size and Morphology." In Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XXII, April 17, 2016, Baltimore, Maryland. Proceedings of the SPIE, edited by M Velez-Reyes and DW Messinger, 9840, Paper No. 98400I. Bellingham, Washington:SPIE. PNNL-SA-117157. doi:10.1117/12.2223909

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Zhou Y., C.H. Yen, Y.H. Hu, C. Wang, X. Cheng, C.M. Wai, and J. Yang, et al. 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, no. 47:18628-18638. PNNL-SA-127667. doi:10.1039/c6ta08508c

Zhou Y., J. Yao, Y. Ding, J. Yu, X. Hua, J.E. Evans, and X. Yu, et al. 2016. "Improving the Molecular Ion Signal Intensity for In Situ Liquid SIMS Analysis." Journal of the American Society for Mass Spectrometry 27, no. 12:2006-2013. PNNL-SA-118036. doi:10.1007/s13361-016-1478-x

Zhu W., M. Shi, D. Yu, C. Liu, T. Huang, and F. Wu. 2016. "Characteristics and kinetic analysis of AQS transformation and microbial goethite reduction: Insight into “redox mediate-microbe-iron oxide” interaction process." Scientific Reports 6. PNNL-SA-118061. doi:10.1038/srep23718

Zhu Y., C.J. Munro, M.J. Olszta, D.J. Edwards, A.B. Braunschweig, M.R. Knecht, and N.D. Browning. 2016. "Dose-rate controlled energy dispersive X-ray spectroscopic mapping of the metallic components in a biohybrid nanosystem." Semiconductor Science and Technology 31, no. 8:Article No. 084002. PNNL-SA-116408. doi:10.1088/0268-1242/31/8/084002

2015

Abgrall N., E. Aguayo, F.T. Avignone, A.S. Barabash, F. Bertrand, M. Boswell, and V. Brudanin, et al. 2015. "The MAJORANA low-noise low-background front-end electronics." Physics Procedia 61. PNNL-SA-111627. doi:10.1016/j.phpro.2014.12.066

Abgrall N., E. Aguayo, F.T. Avignone, A.S. Barabash, F. Bertrand, V. Brudanin, and M. Busch, et al. 2015. "The MAJORANA Parts Tracking Database." Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 779. PNNL-SA-105092. doi:10.1016/j.nima.2015.01.001

Aidhy D.S., B. Liu, Y. Zhang, and W.J. Weber. 2015. "Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations." Computational Materials Science 99. doi:doi:10.1016/j.commatsci.2014.12.030

Alexandrov V.Y., and K.M. Rosso. 2015. "Ab Initio Modeling of Fe(II) Adsorption and Interfacial Electron Transfer at Goethite (a-FeOOH) Surfaces." Physical Chemistry Chemical Physics. PCCP 17, no. 22:14518-14531. PNNL-SA-110970. doi:10.1039/C5CP00921A

Alexandrov V.Y., M.L. Sushko, D.K. Schreiber, S.M. Bruemmer, and K.M. Rosso. 2015. "Ab Initio Modeling of Bulk and Intragranular Diffusion in Ni Alloys." Journal of Physical Chemistry Letters 6, no. 9:1618-1623. PNNL-SA-110894. doi:10.1021/acs.jpclett.5b00177

Annapureddy H., S.K. Nune, R.K. Motkuri, B.P. McGrail, and L.X. Dang. 2015. "A Combined Experimental and Computational Study on the Stability of Nanofluids Containing Metal Organic Frameworks." Journal of Physical Chemistry B 119, no. 29:8992-8999. PNNL-SA-104453. doi:10.1021/jp5079086

Arslan I., J.D. Roehling, I. Ogina, K.J. Batenburg, S.I. Zones, B.C. Gates, and A. Katz. 2015. "Genesis of Delaminated-Zeolite Morphology: 3-D Characterization of Changes by STEM Tomography." Journal of Physical Chemistry Letters 6, no. 13:2598-2602. PNNL-SA-109910. doi:10.1021/acs.jpclett.5b01004

Asner D.M., K.A. Burns, L.W. Campbell, B.A. Greenfield, M.S. Kos, J.L. Orrell, and M. Schram, et al. 2015. "Method of Fission Product Beta Spectra Measurements for Predicting Reactor Anti-neutrino Emission." Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 776. PNNL-SA-101212. doi:10.1016/j.nima.2014.09.076

Bacon D.H., C. Yonkofski, H.T. Schaef, M.D. White, and B.P. McGrail. 2015. "CO2 Storage by Sorption on Organic Matter and Clay in Gas Shale." Journal of Unconventional Oil and Gas Resources 12. PNNL-SA-107851. doi:10.1016/j.juogr.2015.09.004

Bagus P.S., M. Sassi, and K.M. Rosso. 2015. "Intermediate Coupling For Core-Level Excited States: Consequences For X-Ray Absorption Spectroscopy." Journal of Electron Spectroscopy and Related Phenomena 200. PNNL-SA-108070. doi:10.1016/j.elspec.2015.04.021

Balaguru K., G.R. Foltz, L. Leung, E. D'Asaro, K.A. Emanuel, H. Liu, and S.E. Zedler. 2015. "Dynamic Potential Intensity: An improved representation of the ocean’s impact on tropical cyclones." Geophysical Research Letters 42, no. 16:6739-6746. PNNL-SA-112691. doi:10.1002/2015GL064822

Balboni E., J.M. Morrison, Z. Wang, M.H. Engelhard, and P.C. Burns. 2015. "Incorporation of Np(V) and U(VI) in Carbonate and Sulfate Minerals Crystallized from Aqueous Solution." Geochimica et Cosmochimica Acta 151. PNNL-SA-105318. doi:10.1016/j.gca.2014.10.027

Banerjee D., A. Cairns, J. Liu, R.K. Motkuri, S.K. Nune, C.A. Fernandez, and R. Krishna, et al. 2015. "Potential of Metal-Organic Frameworks for Separation of Xenon and Krypton." Accounts of Chemical Research 48, no. 2:211-219. PNNL-SA-104995. doi:10.1021/ar5003126

Banerjee D., J. Liu, and P.K. Thallapally. 2015. "Separation of C2 Hydrocarbons by Porous Materials: Metal Organic Frameworks as Platform." Comments on Inorganic Chemistry 35, no. 1:18-38. PNNL-SA-105950. doi:10.1080/02603594.2014.976704

Bayram E., J.C. Linehan, J.L. Fulton, N. Szymczak, and R.G. Finke. 2015. "Determination of the Dominant Catalyst Derived from the Classic [RhCp*Cl2]2 Precatalyst System: Is it Single-Metal Rh1Cp*-Based, Subnanometer Rh4 Cluster-Based, or Rh(0)n Nanoparticle-Based Cyclohexene Hydrogenation Catalysis at Room Temperature and Mild Pressures?." ACS Catalysis 5, no. 6:3876-3886. PNNL-SA-111895. doi:10.1021/acscatal.5b00315

Beale A.M., F. Gao, I. Lezcano-Gonzalez, C.H. Peden, and J. Szanyi. 2015. "Recent advances in automotive catalysis for NOx emission control by small-pore microporous materials." Chemical Society Reviews 44, no. 20:7371-7405. PNNL-SA-108003. doi:10.1039/c5cs00108k

Bernacki B.E., C.S. Brauer, B.D. Cannon, T.L. Myers, M.S. Taubman, and C.G. Anderson. 2015. Annual Report for the QCL Calibration Project. PNNL-24170. Richland, WA: Pacific Northwest National Laboratory. Annual Report for the QCL Calibration Project

Bertolus M., M. Krack, M. Freyss, and R. Devanathan. 2015. "Assessment of current atomic scale modelling methods for the investigation of nuclear fuels under irradiation: Example of uranium dioxide." In State of the Art Report on Multiscale Modeling of Nuclear Fuels, edited by S Massara. 246-276. Paris:OECD Publishing. PNNL-SA-104212.

Bhaskaran-Nair K., M. Valiev, S. Deng, W.A. Shelton, K. Kowalski, and X.B. Wang. 2015. "Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations." Journal of Chemical Physics 143, no. 22:Article No. 224301. PNNL-SA-113513.

Boone E.J., A. Laskin, J. Laskin, C. Wirth, P.B. Shepson, B.H. Stirm, and K.A. Pratt. 2015. "Aqueous Processing of Atmospheric Organic Particles in Cloud Water Collected via Aircraft Sampling." Environmental Science & Technology 49, no. 14:8523-8530. PNNL-SA-109201. doi:10.1021/acs.est.5b01639

Brauer C.S., T.J. Johnson, T.L. Myers, Y. Su, T.A. Blake, and B.M. Forland. 2015. "Effects of Sample Preparation on the Infrared Reflectance Spectra of Powders." In Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XVI, April 20, 2015, Baltimore, Maryland. Proceedings of the SPIE, 9455, Article No. 945505. Bellingham, Washington:SPIE. PNNL-SA-109821. doi:10.1117/12.2179736

Breuer M., K.M. Rosso, and J. Blumberger. 2015. "Flavin Binding to the Deca-heme Cytochrome MtrC: Insights from Computational Molecular Simulation." Biophysical Journal 109, no. 12:2614-24. PNNL-SA-117922. doi:10.1016/j.bpj.2015.10.038

Breuer M., K.M. Rosso, J. Blumberger, and J.N. Butt. 2015. "Multi-heme Cytochromes in Shewanella oneidensis MR-1: Structures, functions and opportunities." Journal of the Royal Society Interface 12, no. 102:Article No. 20141117. PNNL-SA-103746. doi:10.1098/rsif.2014.1117

Brown H., S. Wiese, J.A. Roberts, R.M. Bullock, and M.L. Helm. 2015. "Electrocatalytic Hydrogen Production by [Ni(7PPh2NH)2]2+: Removing the Distinction Between Endo- and Exo- Protonation Sites." ACS Catalysis 5, no. 4:2116-2123. PNNL-SA-104339. doi:10.1021/cs502132y

Bryan S.A., T.J. Johnson, and C.R. Orton. 2015. Enhanced Uranium Ore Concentrate Analysis by Handheld Raman Sensor: FY15 Status Report. PNNL-24903. Richland, WA: Pacific Northwest National Laboratory. Enhanced Uranium Ore Concentrate Analysis by Handheld Raman Sensor: FY15 Status Report

Burkes D., A.M. Casella, A.J. Casella, E.C. Buck, K.N. Pool, P.J. MacFarlan, and M.K. Edwards, et al. 2015. "Thermal properties of U-Mo alloys irradiated to moderate burnup and power." Journal of Nuclear Materials 464. PNNL-SA-108278. doi:10.1016/j.jnucmat.2015.04.040

Burkes D., A.M. Casella, E.C. Buck, A.J. Casella, M.K. Edwards, P.J. MacFarlan, and K.N. Pool, et al. 2015. Fuel Thermo-physical Characterization Project: Fiscal Year 2014 Final Report. PNNL-24135. Richland, WA: Pacific Northwest National Laboratory. Fuel Thermo-physical Characterization Project: Fiscal Year 2014 Final Report

Byrne J., N. Klueglein, C.I. Pearce, K.M. Rosso, E. Appel, and A. Kappler. 2015. "Redox cycling of Fe(II) and Fe(III) in magnetite by Fe-metabolizing bacteria." Science 347, no. 6229:1473-1476. PNNL-SA-108203. doi:10.1126/science.aaa4834

Cameron R.J., B.G. Fritz, C. Hurlbut, R.T. Kouzes, A. Ramey, and R. Smola. 2015. "Fogging in Polyvinyl Toluene Scintillators." IEEE Transactions on Nuclear Science 62, no. 1:368-371. PNNL-SA-105192. doi:10.1109/TNS.2015.2390076

Cao Y., K. Xu, W. Jiang, T.C. Droubay, P. Ramuhalli, D.J. Edwards, and B.R. Johnson, et al. 2015. "Hysteresis in single and polycrystalline iron thin films: major and minor loops, first order reversal curves, and Preisach modeling." Journal of Magnetism and Magnetic Materials 395. PNNL-SA-110829. doi:10.1016/j.jmmm.2015.06.072

Casella A.J., L.R. Hylden, E.L. Campbell, T.G. Levitskaia, J.M. Peterson, F.N. Smith, and S.A. Bryan. 2015. "Development of On-Line Spectroscopic pH Monitoring for Nuclear Fuel Reprocessing Plants: Weak Acid Schemes." Analytical Chemistry 87, no. 10:5139-5147. PNNL-SA-107022. doi:10.1021/ac504578t

Chambers S.A., Y. Du, M. Gu, T.C. Droubay, S. Hepplestone, and P.V. Sushko. 2015. "Dominance of interface chemistry over the bulk properties in determining the electronic structure of epitaxial metal/perovskite oxide heterojunctions." Chemistry of Materials 27, no. 11:4093-4098. PNNL-SA-108999. doi:10.1021/acs.chemmater.5b01118

Chase Z., S. Kasakov, H. Shi, A. Vjunov, J.L. Fulton, D.M. Camaioni, and M. Balasubramanian, et al. 2015. "State of Supported Nickel Nanoparticles during Catalysis in Aqueous Media." Chemistry - A European Journal 21, no. 46:16541-16546. PNNL-SA-107104. doi:10.1002/chem.201502723

Chatman S.M., C.I. Pearce, and K.M. Rosso. 2015. "Charge Transport at Ti-Doped Hematite (001)/Aqueous Interfaces." Chemistry of Materials 27, no. 5:1665-1673. PNNL-SA-107093. doi:10.1021/cm504451j

Chatman S.M., P.P. Zarzycki, and K.M. Rosso. 2015. "Spontaneous Water Oxidation at Hematite (a-Fe2O3) Crystal Faces." ACS Applied Materials & Interfaces 7, no. 3:1550-1559. PNNL-SA-106032. doi:10.1021/am5067783

Chen G., L.N. Zakharov, M.E. Bowden, A.J. Karkamkar, S.M. Whittemore, E.B. Garner, and T.C. Mikulas, et al. 2015. "Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material." Journal of the American Chemical Society 137, no. 1:134-137. PNNL-SA-107108. doi:10.1021/ja511766p

Chen H., Z. Wei, M. Kollar, F. Gao, Y. Wang, J. Szanyi, and C.H. Peden. 2015. "A Comparative Study of N2O Formation during the Selective Catalytic Reduction of NOx with NH3 on Zeolite Supported Cu Catalysts." Journal of Catalysis 329. PNNL-SA-108655. doi:10.1016/j.jcat.2015.06.016

Chen J., D. Wu, E.D. Walter, M.H. Engelhard, P. Bhattacharya, H. Pan, and Y. Shao, et al. 2015. "Molecular-Confinement of Polysulfide within Mesoscale Electrodes for the Practical Application of Lithium Sulfur Batteries." Nano Energy 13. PNNL-SA-106980. doi:10.1016/j.nanoen.2015.01.031

Cheng Y., R.M. Stolley, K. Han, Y. Shao, B.W. Arey, N.M. Washton, and K.T. Mueller, et al. 2015. "Highly Active Electrolytes for Rechargeable Mg Batteries Based on [Mg2(µ-Cl)2]2+ Cation Complex in Dimethoxyethane." Physical Chemistry Chemical Physics. PCCP 17, no. 20:13307-13314. PNNL-SA-106553. doi:10.1039/C5CP00859J

Cheng Y., Y. Shao, L.R. Parent, M.L. Sushko, G. Li, P.V. Sushko, and N.D. Browning, et al. 2015. "Interface Promoted Reversible Mg Insertion in Nanostructured Tin-Antimony Alloys." Advanced Materials 27, no. 42:6598-6605. PNNL-SA-108383. doi:10.1002/adma.201502378

China S., G.R. Kulkarni, B. Scarnatio, N. Sharma, M.S. Pekour, J.E. Shilling, and J.M. Wilson, et al. 2015. "Morphology Of Diesel Soot Residuals From Supercooled Water Droplets And Ice Crystals: Implications For Optical Properties." Environmental Research Letters 10. PNNL-SA-112661. doi:10.1088/1748-9326/10/11/114010

Choi Y., M.P. Westman, A.J. Karkamkar, J. Chun, and E. Ronnebro. 2015. "Synthesis and Engineering Materials Properties of Fluid Phase Chemical Hydrogen Storage Materials for Automotive Applications." Energy and Fuels 29, no. 10:6695-6703. PNNL-SA-111018. doi:10.1021/acs.energyfuels.5b01307

Chun J., C.J. Mundy, and G.K. Schenter. 2015. "The Role of Solvent Heterogeneity in Determining the Dispersion Interaction Between Nanoassemblies." Journal of Physical Chemistry B 119, no. 18:5873-5881. PNNL-SA-107249. doi:10.1021/jp512550c

Clikeman T.T., E.V. Bukovsky, X.B. Wang, Y. Chen, G. Rumbles, S.H. Strauss, and O.V. Boltalina. 2015. "Core Perylene Diimide Designs via Direct Bay and Ortho (Poly)trifluoromethylation: Synthesis, Isolation, X-ray Structures, Optical and Electronic Properties." European Journal of Organic Chemistry 2015, no. 30:6641-6654. PNNL-SA-112340. doi:10.1002/ejoc.201501024

Clikeman T.T., S. Deng, A.A. Popov, X.B. Wang, S.H. Strauss, and O.V. Boltalina. 2015. "Fullerene Cyanation Does Not Always Increase Electron Affinity: Experimental and Theoretical Study." Physical Chemistry Chemical Physics. PCCP 17, no. 1:551-556. PNNL-SA-105674. doi:10.1039/C4CP04287E

Comes R.B., P. Xu, B. Jalan, and S.A. Chambers. 2015. "Band alignment of epitaxial SrTiO3 thin films with (LaAlO3)0.3-(Sr2AlTaO6)0.7 (001)." Applied Physics Letters 107, no. 13:Article No. 131601. PNNL-SA-111633. doi:10.1063/1.4932063

Comes R.B., S.Y. Smolin, T.C. Kaspar, R. Gao, B.A. Apgar, L.W. Martin, and M.E. Bowden, et al. 2015. "Visible light carrier generation in co-doped epitaxial titanate films." Applied Physics Letters 109, no. 9:Article No. 092901. PNNL-SA-107663. doi:10.1063/1.4913930

Connelly S.J., E.S. Wiedner, and A.M. Appel. 2015. "Predicting the Reactivity of Hydride Donors in Water: Thermodynamic Constants for Hydrogen." Dalton Transactions 44, no. 13:5933-5938. PNNL-SA-105710. doi:10.1039/C4DT03841J

Cosimbescu L., X. Wei, M. Vijayakumar, W. Xu, M.L. Helm, S.D. Burton, and C.M. Sorensen, et al. 2015. "Anion-Tunable Properties and Electrochemical Performance of Functionalized Ferrocene Compounds." Scientific Reports 5. PNNL-SA-104406. doi:10.1038/srep14117

Cuesta C., N. Abgrall, E. Aguayo, F.T. Avignone, A.S. Barabash, F. Bertrand, and M. Boswell, et al. 2015. "Background Model for the Majorana Demonstrator." Physics Procedia 61. PNNL-SA-102048. doi:10.1016/j.phpro.2015.06.001

Cuesta C., N. Abgrall, I.J. Arnquist, F.T. Avignone, A.S. Barabash, F. Bertrand, and V. Brudanin, et al. 2015. "Status of the Majorana Demonstrator." Nuclear and Particle Physics Proceedings 265-266. PNNL-SA-107387. doi:10.1016/j.nuclphysbps.2015.06.019

Cuesta C., N. Abgrall, I.J. Arnquist, F.T. Avignone, C.X. Baldenegro-Barrera, A.S. Barabash, and F. Bertrand, et al. 2015. "Analysis techniques for background rejection at the MAJORANA DEMONSTRATOR." In Proceedings of the 5th International Workshop in Low Radioactivity Techniques (LRT 2015), March 18-20, 2015, Seattle, WA. AIP Conference Proceedings, edited by JL Orrell, 1672, Article No. 140006. College Park, Maryland:American Institute of Physics. PNNL-SA-111894. doi:10.1063/1.4928022

Cuesta C., N. Abgrall, I.J. Arnquist, F.T. Avignone, C.X. Baldenegro-Barrera, A.S. Barabash, and F. Bertrand, et al. 2015. "Status of the MAJORANA DEMONSTRATOR." In WORKSHOP ON CALCULATION OF DOUBLE-BETA-DECAY MATRIX ELEMENTS (MEDEX 2015), June 9-12, 2015, Prague, Czech Republic. AIP Conference Proceedings, edited by O Civitarese, I Stekl and J Suhonen, 1686, Article No. 020005. College Park, Maryland:American Institute of Physics. PNNL-SA-111618. doi:10.1063/1.4934894

Dai Y.Y., L. Ao, Q.Q. Sun, L. Yang, J. Nie, S. Peng, and X. Long, et al. 2015. "Nucleation of Cr precipitates in Fe-Cr alloy under irradiation." Computational Materials Science 101. PNNL-SA-108553. doi:10.1016/j.commatsci.2015.01.015

Darkins R., M.L. Sushko, J. Liu, and D.M. Duffy. 2015. "The effect of surface topography on the micellisation of hexadecyltrimethylammonium chloride at the silicon-aqueous interface." Journal of Physics: Condensed Matter 27, no. 5:Article No. 054008. PNNL-SA-105542. doi:10.1088/0953-8984/27/5/054008

Darmon J.M., N. Kumar, E. Hulley, C.J. Weiss, S. Raugei, R.M. Bullock, and M.L. 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, no. 5:2737-2745. PNNL-SA-105708. doi:10.1039/C5SC00398A

Das A.K., M.H. Engelhard, S.J. Lense, J.A. Roberts, and R.M. Bullock. 2015. "Covalent Attachment of Diphosphine Ligands to Glassy Carbon Electrodes via Cu-Catalyzed Alkyne-Azide Cycloaddition. Metallation with Ni(II)." Dalton Transactions 44, no. 27:12225-12233. PNNL-SA-107506. doi:10.1039/C5DT00162E

Davidson R.B., J.I. Ziegler, G. Vargas, S.M. Avanesyan, Y. Gong, W.P. Hess, and R.F. Haglund Jr. 2015. "Efficient Forward Second-Harmonic Generation from Planar Archimedean Nanospirals." Nanophotonics 4, no. 1:108-113. PNNL-SA-107834. doi:10.1515/nanoph-2015-0002

De Yoreo J.J., P.U. Gilbert, N. Sommerdijk, R. Penn, S.B. Whitelam, D. Joester, and H. Zhang, et al. 2015. "Crystallization by Particle Attachment in Synthetic, Biogenic, and Geologic Environments." Science 349, no. 6247:Article No. aaa6760. PNNL-SA-111318. doi:10.1126/science.aaa6760

Deng S., X. Kong, and X.B. Wang. 2015. "Probing the early stages of salt nucleation-experimental and theoretical investigations of sodium/potassium thiocyanate cluster anions." Journal of Chemical Physics 142, no. 2:Article No. 024313. PNNL-SA-105748. doi:10.1063/1.4905266

Deng X., M.Y. Hu, X. Wei, W. Wang, Z. Chen, J. Liu, and J.Z. Hu. 2015. "Natural Abundance 17O Nuclear Magnetic Resonance and Computational Modeling Studies of Lithium Based Liquid Electrolytes." Journal of Power Sources 285. PNNL-SA-105759. doi:10.1016/j.jpowsour.2015.03.091

Devanathan R. 2015. "Review of “Metals in Past Societies: A Global Perspective on Indigenous African Metallurgy” by Shadreck Chirikure, Springer, 2015." MRS Bulletin 40, no. 10:880. PNNL-SA-111840. doi:10.1557/mrs.2015.251

Devanathan R., M. Krack, and M. Bertolus. 2015. "Classical Molecular Dynamics Simulation of Nuclear Fuel." In State of the Art Report on Multiscale Modeling of Nuclear Fuels, edited by S Massara. 236-245. Paris:OECD Publishing. PNNL-SA-82914.

Droubay T.C., L. Kong, S.A. Chambers, and W.P. Hess. 2015. "Work Function Reduction by BaO: Growth of Crystalline Barium Oxide on Ag(001) and Ag(111) Surfaces." Surface Science 632. PNNL-SA-102305. doi:10.1016/j.susc.2014.07.010

Dutta A., S.J. Lense, J.A. Roberts, M.L. Helm, and W.J. Shaw. 2015. "The role of solvent and the outer coordination sphere on H2 oxidation using [Ni(PCy2NPyz2)2]2+." European Journal of Inorganic Chemistry 2015, no. 31:5218-5225. PNNL-SA-105208. doi:10.1002/ejic.201500732

El-Khoury P.Z., G.E. Johnson, I.V. Novikova, Y. Gong, A.G. Joly, J.E. Evans, and M. Zamkov, et al. 2015. "Enhanced Raman Scattering from Aromatic Dithiols Electrosprayed into Plasmonic Nanojunctions." Faraday Discussions 184. PNNL-SA-109386. doi:10.1039/C5FD00036J

El-Khoury P.Z., Y. Gong, P. Abellan, B.W. Arey, A.G. Joly, D. Hu, and J.E. Evans, et al. 2015. "Tip-Enhanced Raman Nanographs: Mapping Topography and Local Electric Fields." Nano Letters 15, no. 4:2385-2390. PNNL-SA-106991. doi:10.1021/acs.nanolett.5b00609

Elsaidi S.K., M.H. Mohamed, H.T. Schaef, A. Kumar, M. Lusi, T. Pham, and K.A. Forrest, et al. 2015. "Hydrophobic Pillared Square Grids for Selective Removal of CO2 from Simulated Flue Gas." Chemical Communications 51, no. 85:15530-15533. PNNL-SA-109325. doi:10.1039/c5cc06577a

Fang Y., C. Liu, and L.R. Leung. 2015. "Accelerating the spin-up of the coupled carbon and nitrogen cycle model in CLM4." Geoscientific Model Development 8, no. 3:781-789. PNNL-SA-106100. doi:10.5194/gmd-8-781-2015

Felmy A.R., O. Qafoku, B.W. Arey, L. Kovarik, J. Liu, D.E. Perea, and E.S. Ilton. 2015. "Enhancing Magnesite Formation at Low Temperature and High CO2 Pressure: The Impact of Seed Crystals and Minor Components." Chemical Geology 395. PNNL-SA-107559. doi:10.1016/j.chemgeo.2014.12.003

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Abellan Baeza P., T.J. Woehl, L.R. Parent, N.D. Browning, J.E. Evans, and I. Arslan. 2014. "Factors influencing quantitative liquid (scanning) transmission electron microscopy." Chemical Communications 50, no. 38:4873-80. PNNL-SA-99641. doi:10.1039/c3cc48479c

Abgrall N., E. Aguayo, F.T. Avignone, A. Barabash, F. Bertrand, M. Boswell, and M. Boswell, et al. 2014. "The MAJORANA DEMONSTRATOR Neutrinoless Double-Beta Decay Experiment." Advances in High Energy Physics 2014. PNNL-SA-101090. doi:10.1155/2014/365432

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Zarkadoula E., R. Devanathan, W.J. Weber, M. Seaton, I. Todorov, K. Nordlund, and M.T. Dove, et al. 2014. "High-energy radiation damage in zirconia: modeling results." Journal of Applied Physics 115, no. 8:083507. PNNL-SA-96637. doi:10.1063/1.4866989

Zelenyuk A., P. Reitz, M.L. Stewart, D. Imre, P. Loeper, C. Adams, and M. Andrie, et al. 2014. "Detailed Characterization of Particulates Emitted by Pre-Commercial Single-Cylinder Gasoline Compression Ignition Engine." Combustion and Flame 161, no. 8:2151-2164. PNNL-SA-98103. doi:10.1016/j.combustflame.2014.01.011

Zhang H., P.V. Sushko, R.J. Colby, Y. Du, M.E. Bowden, and S.A. Chambers. 2014. "Reversible nano-structuring of SrCrO3-d through oxidization and reduction at low temperatures." Nature Communications 5. PNNL-SA-101384. doi:10.1038/ncomms5669

Zhang J., P. Yang, Z. Sun, and X.B. Wang. 2014. "Covalently Bound Tetracoordinated Organoborons are Superhalogens: A Combined Negative Ion Photoelectron Spectroscopy and Theoretical Study." Journal of Physical Chemistry A 118, no. 37:8074-8080. PNNL-SA-98790. doi:10.1021/jp410009a

Zhang K., X.S. Li, W. Li, A. Rohatgi, Y. Duan, P. Singh, and L. Li, et al. 2014. "Phase Transfer-Catalyzed Fast CO2 Absorption by MgO-Based Absorbents with High Cycling Capacity." Advanced Materials Interfaces 1, no. 3:Article No. 1400030. PNNL-SA-98809. doi:10.1002/admi.201400030

Zhang R., J. McEwen, M. Kollar, F. Gao, Y. Wang, J. Szanyi, and C.H. Peden. 2014. "NO Chemisorption on Cu/SSZ-13: a Comparative Study from Infrared Spectroscopy and DFT Calculations." ACS Catalysis 4, no. 11:4093-4105. PNNL-SA-102388. doi:10.1021/cs500563s

Zhang W., D. Du, K.D. Gunaratne, R.J. Colby, Y. Lin, and J. Laskin. 2014. "Polyoxometalate-Graphene Nanocomposite Modified Electrode for Electrocatalytic Detection of Ascorbic Acid." Electroanalysis 26, no. 1:178-183. PNNL-SA-96816. doi:10.1002/elan.201300343

Zhang X., C. Liu, B.X. Hu, and G. Zhang. 2014. "Uncertainty analysis of multi-rate kinetics of uranium desorption from sediments." Journal of Contaminant Hydrology 156. PNNL-SA-88710. doi:10.1016/j.jconhyd.2013.10.001

Zhang Y., D.S. Aidhy, T. Varga, S. Moll, P.D. Edmondson, F. Namavar, and K. Jin, et al. 2014. "The Effect Of Electronic Energy Loss On Irradiation-induced Grain Growth In Nanocrystalline Oxides." Physical Chemistry Chemical Physics. PCCP 16, no. 17:8051-8059. PNNL-SA-101785. doi:10.1039/c4cp00392f

Zhang Y., T. Varga, M. Ishimaru, P.D. Edmondson, H. Xue, P. Liu, and S. Moll, et al. 2014. "Competing Effects Of Electronic And Nuclear Energy Loss On Microstructural Evolution In Ionic-covalent Materials." Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 327. PNNL-SA-99975. doi:10.1016/j.nimb.2013.10.095

Zheng J., J. Tian, D. Wu, M. Gu, W. Xu, C.M. Wang, and F. Gao, et al. 2014. "Lewis Acid-Base Interactions between Polysulfides and Metal Organic Framework in Lithium Sulfur Batteries." Nano Letters 14, no. 5:2345-2352. PNNL-SA-97082. doi:10.1021/nl404721h

Zhou J., Y. Hu, X. Li, C.M. Wang, and L. Zuin. 2014. "Chemical Bonding In Amorphous Si Coated-carbon Nanotube As Anodes For Li ion Batteries: A XANES Study." RSC Advances 4, no. 39:20226-20229. PNNL-SA-101008. doi:10.1039/c4ra01332h

2013

Abramson E.H., D. Imre, J. Beranek, J. Wilson, and A. Zelenyuk. 2013. "Experimental Determination of Chemical Diffusion within Secondary Organic Aerosol Particles." Physical Chemistry Chemical Physics. PCCP 15, no. 8:2983-2991. PNNL-SA-87296. doi:10.1039/C2CP44013J

Acharya D.P., Y. Yoon, Z. Li, Z. Zhang, X. Lin, R. Mu, and L. Chen, et al. 2013. "Site-Specific Imaging of Elemental Steps in Dehydration of Diols on TiO2(110)." ACS Nano 7, no. 11:10414-10423. PNNL-SA-98207. doi:10.1021/nn404934q

Aguayo E., F.T. Avignone, H.O. Back, A.S. Barabash, J. Beene, M. Bergevin, and M. Bergevin, et al. 2013. "The Majorana Double Beta Decay Experiment: Present Status." In Particle Physics at the Tercentenary of Mikhail Lomonosov, Proceedings of the Fifteenth Lomonosov Conference on Elementary Particle Physics, August 18-24, 2011, Moscow, Russia, edited by AI Studenikin, 164-168. Hackensack, New Jersey:World Scientific. PNNL-SA-105131. doi:10.1142/9789814436830_0035

Aguayo Navarrete E., A.S. Ankney, T.J. Berguson, R.T. Kouzes, J.L. Orrell, M.D. Troy, and C.G. Wiseman. 2013. Monte Carlo Simulation Tool Installation and Operation Guide. PNNL-22705. Richland, WA: Pacific Northwest National Laboratory. Monte Carlo Simulation Tool Installation and Operation Guide

Aguayo Navarrete E., M. Amman, F.T. Avignone, A. Barabash, P.J. Barton, J. Beene, and F. Bertrand, et al. 2013. "Characteristics of Signals Originating Near the Lithium-Diffused N+ Contact of High Purity Germanium P-Type Point Contact Detectors." Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 701. PNNL-SA-94073. doi:10.1016/j.nima.2012.11.004

Aguayo Navarrete E., M. Busch, R. Daniels, J.E. Fast, M.P. Green, and D.J. Reid. 2013. "The Design of an Ultra-Low Background Thermosyphon for the Majorana Demonstrator." Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 709. PNNL-SA-88629. doi:10.1016/j.nima.2012.11.191

Aguayo Navarrete E., R.T. Kouzes, and E.R. Siciliano. 2013. Ship Effect Neutron Measurements And Impacts On Low-Background Experiments. PNNL-22953. Richland, WA: Pacific Northwest National Laboratory. Ship Effect Neutron Measurements And Impacts On Low-Background Experiments

Akagi S., R.J. Yokelson, I.R. Burling, S. Meinardi, I. Simpson, D.R. Blake, and G. McMeeking, et al. 2013. "Measurements of reactive trace gases and variable O3 formation rates in some South Carolina biomass burning plumes." Atmospheric Chemistry and Physics 13, no. 3:1141-1165. PNNL-SA-89204. doi:10.5194/acp-13-1141-2013

Al Hasan N.M., G.E. Johnson, and J. Laskin. 2013. "Gas-Phase Synthesis of Singly and Multiply Charged Polyoxovanadate Anions Employing Electrospray Ionization and Collision Induced Dissociation." Journal of the American Society for Mass Spectrometry 24, no. 9:1385-95. PNNL-SA-91442. doi:10.1007/s13361-013-0683-0

Albrecht K.O., V.A. Glezakou, R.J. Rousseau, M.H. Engelhard, T. Varga, R.J. Colby, and J.E. Jaffe, et al. 2013. Rh-Based Mixed Alcohol Synthesis Catalysts: Characterization and Computational Report. PNNL-22697. Richland, WA: Pacific Northwest National Laboratory. Rh-Based Mixed Alcohol Synthesis Catalysts: Characterization and Computational Report

Alexandrov V.Y., A. Neumann, M. Scherer, and K.M. Rosso. 2013. "Electron Exchange and Conduction in Nontronite from First-Principles." Journal of Physical Chemistry C 117, no. 5:2032-2040. PNNL-SA-92020. doi:10.1021/jp3110776

Alexandrov V.Y., and K.M. Rosso. 2013. "Insights into the Mechanism of Fe(II) Adsorption and Oxidation at Fe-Clay Mineral Surfaces from First-Principles Calculations." Journal of Physical Chemistry C 117, no. 44:22880-22886. PNNL-SA-97193. doi:10.1021/jp4073125

Anheier N.C., J.D. Suter, H. Qiao, E.S. Andersen, E.J. Berglin, M. Bliss, and B.D. Cannon, et al. 2013. Technical Readiness and Gaps Analysis of Commercial Optical Materials and Measurement Systems for Advanced Small Modular Reactors. PNNL-22622 Rev. 1. Richland, WA: Pacific Northwest National Laboratory. Technical Readiness and Gaps Analysis of Commercial Optical Materials and Measurement Systems for Advanced Small Modular Reactors

Annapureddy H.V., and L.X. Dang. 2013. "Pairing mechanism among ionic liquid ions in aqueous solutions. A molecular dynamics study." Journal of Physical Chemistry B 117, no. 28:8555-8560. PNNL-SA-95761. doi:10.1021/jp404839w

Appel A.M., J.E. Bercaw, A.B. Bocarsly, H. Dobbek, D.L. DuBois, M. Dupuis, and J.G. Ferry, et al. 2013. "Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO2." Chemical Reviews 113, no. 8:6621-6658. PNNL-SA-92184. doi:10.1021/cr300463y

Arey B.W., L. Kovarik, O. Qafoku, Z. Wang, N.J. Hess, and A.R. Felmy. 2013. "Identification of Fragile Microscopic Structures during Mineral Transformations in Wet Supercritical CO2." Microscopy and Microanalysis 19, no. 2:268-275. PNNL-SA-83815. doi:10.1017/S1431927612014171

Aydin C., A. Kulkarni, M. Chi, N.D. Browning, and B.C. Gates. 2013. "Three-Dimensional Structural Analysis of MgO-Supported Osmium Clusters by Electron Microscopy with Single-Atom Sensitivity." Angewandte Chemie International Edition 52, no. 20:5262-5265. PNNL-SA-96863. doi:10.1002/anie.201300238

Baer D.R., B.J. Finlayson-Pitts, H.C. Allen, A.K. Bertram, V.H. Grassian, S.T. Martin, and S.T. Martin, et al. 2013. EMSL Science Theme Advisory Panel Workshop - Atmospheric Aerosol Chemistry, Climate Change, and Air Quality. PNNL-22607. Richland, WA: Pacific Northwest National Laboratory. EMSL Science Theme Advisory Panel Workshop - Atmospheric Aerosol Chemistry, Climate Change, and Air Quality

Baer D.R., M.H. Engelhard, G.E. Johnson, J. Laskin, J. Lai, K.T. Mueller, and P. Munusamy, et al. 2013. "Surface Characterization of Nanomaterials and Nanoparticles: important needs and challenging opportunities." Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 31, no. 5:Article No. 050820. PNNL-SA-95071. doi:10.1116/1.4818423

Bagus P.S., and E.S. Ilton. 2013. "THEORY FOR THE XPS OF ACTINIDES." Topics in Catalysis 56, no. 12:1121-1128. PNNL-SA-96578. doi:10.1007/s11244-013-0078-2

Bagus P.S., C.J. Nelin, and E.S. Ilton. 2013. "Theoretical modeling of the uranium 4f XPS for U(VI) and U(IV) oxides." Journal of Chemical Physics 139, no. 24:244704. PNNL-SA-98469. doi:10.1063/1.4846135

Bagus P.S., E.S. Ilton, and C.J. Nelin. 2013. "The Interpretation of XPS Spectra: Insights Into Materials Properties." Surface Science Reports 68, no. 2:273-304. PNNL-SA-94514. doi:10.1016/j.surfrep.2013.03.001

Balaguru K., L.R. Leung, and J. Yoon. 2013. "Oceanic Control of Northeast Pacific Hurricane Activity at Interannual Timescales." Environmental Research Letters 8, no. 4:Article No. 044009. PNNL-SA-92146. doi:10.1088/1748-9326/8/4/044009

Bandara D.C., A.M. Tartakovsky, M. Oostrom, B.J. Palmer, J.W. Grate, and C. Zhang. 2013. "Smoothed Particle Hydrodynamics pore-scale simulations of unstable immiscible flow in porous media." Advances in Water Resources 62, no. Part C:356-369. PNNL-SA-97277. doi:10.1016/j.advwatres.2013.09.014

Bang J., S. Meng, Y. Sun, D. West, Z. Wang, F. Gao, and S. Zhang. 2013. "Regulating energy transfer of excited carriers and the case for excitation-induced hydrogen dissociation on hydrogenated graphene." Proceedings of the National Academy of Sciences of the United States of America 110, no. 3:908-911. PNNL-SA-92555. doi:10.1073/pnas.1210313110

Bang J., Z. Wang, F. Gao, S. Meng, and S. Zhang. 2013. "Suppression of nonradiative recombination in ionic insulators by defects: Role of fast electron trapping in Tl-doped CsI." Physical Review. B, Condensed Matter and Materials Physics 87, no. 20:205206. PNNL-SA-96076. doi:10.1103/PhysRevB.87.205206

Bao X., D. Hrovat, W. Borden, and X.B. Wang. 2013. "Negative Ion Photoelectron Spectroscopy Confirms the Prediction that (CO)5 and (CO)6 Each Has a Singlet Ground State." Journal of the American Chemical Society 135, no. 11:4291-4298. PNNL-SA-91096. doi:10.1021/ja4005128

Berg L.K., W.I. Gustafson, E.I. Kassianov, and L. Deng. 2013. "Evaluation of a Modified Scheme for Shallow Convection: Implementation of CuP and Case Studies." Monthly Weather Review 141, no. 1:134-147. PNNL-SA-87611. doi:10.1175/MWR-D-12-00136.1

Bernacki B.E., R.L. Redding, Y. Su, C.S. Brauer, and T.J. Johnson. 2013. "Intensity offset and correction of solid spectral library samples measured behind glass." In Algorithms and Technologies for Multispectral, Hyperspectral, and Ultraspectral Imagery XIX,m April 29, 2013, Baltimore, Maryland. Proceedings of the SPIE, edited by SS Shen and PE Lewis, 87431, Article No. 87431L. Bellingham, Washington:SPIE. PNNL-SA-95036. doi:10.1117/12.2014523

Blair M., R.E. Muenchausen, B.L. Bennett, N.A. Smith, and M.G. Warner. 2013. "Correlated Spin Systems in Undoped CdSe Quantum Dots." Journal of Nanoparticle Research 15, no. 11:Article No. 1953. PNNL-SA-97685. doi:10.1007/s11051-013-1953-2

Bogatko S.A., E.L. Cauet, E.J. Bylaska, G.K. Schenter, J.L. Fulton, and J.H. Weare. 2013. "The Aqueous Ca2+ System, in Comparison with Zn2+, Fe3+, and Al3+: An Ab Initio Molecular Dynamics Study." Chemistry - A European Journal 19, no. 9:3047-3060. PNNL-SA-88496. doi:10.1002/chem.201202821

Browning N.D. 2013. "Electron Microscopy: Phase Transition Singled Out." Nature Chemistry 5, no. 5:363-364. PNNL-SA-94343. doi:10.1038/nchem.1632

Browning N.D., C. Aydin, J. Lu, A. Kulkarni, N.L. Okamoto, V. Ortalan, and B.W. Reed, et al. 2013. "Quantitative Z-Contrast Imaging of Supported Metal Complexes and Clusters - A Gateway to Understanding Catalysis on the Atomic Scale." ChemCatChem 5, no. 9:2673-2683. PNNL-SA-98857. doi:10.1002/cctc.201200872

Bryan S.A., T.G. Levitskaia, A.M. Lines, F.N. Smith, G.B. Josephson, and J.M. Bello. 2013. "Dual-Remote Raman Technology for In-Situ Identification of Tank Waste." In WM Symposia 2013: International Collaboration and Continuous Improvement, February 24-28, 2013, Phoenix, Arizona, Paper No. 13549. Tucson, Arizona:WM Symposia. PNNL-SA-92015.

Buchko G.W., A. Jain, M.L. Reback, and W.J. Shaw. 2013. "Structural characterization of the model amphipathic peptide Ac-LKKLLKLLKKLLKL-NH2 in aqueous solution and with 2,2,2-trifluoroethanol and 1,1,1,3,3,3-hexafluoroisopropanol." Canadian Journal of Chemistry 91, no. 6:406-413. PNNL-SA-90953. doi:10.1139/cjc-2012-0429

Buchko G.W., G. Lin, B.J. Tarasevich, and W.J. Shaw. 2013. "A solution NMR investigation into the impaired self-assembly properties of two murine amelogenins containing the point mutations T21?I or P41?T." Archives of Biochemistry and Biophysics 537, no. 2:217-224. PNNL-SA-94926. doi:10.1016/j.abb.2013.07.015

Bzdek B.R., J.W. Depalma, D.P. Ridge, J. Laskin, and M.V. Johnston. 2013. "Fragmentation Energetics of Clusters Relevant to Atmospheric New Particle Formation." Journal of the American Chemical Society 135, no. 8:3276-3285. PNNL-SA-92752. doi:10.1021/ja3124509

Campbell L.W., and F. Gao. 2013. "Excited State Electronic Properties of Sodium Iodide and Cesium Iodide." Journal of Luminescence 137. PNNL-SA-88747. doi:10.1016/j.jlumin.2012.12.058

Cantelli R., A. Paolone, O. Palumbo, O. Palumbo, F. Leardini, T. Autrey, and A.J. Karkamkar, et al. 2013. "Rotational dynamics in ammonia borane: Evidence of strong isotope effects." Journal of Alloys and Compounds 580, no. Supplement 1:S63-S66. PNNL-SA-100513. doi:10.1016/j.jallcom.2013.03.148

Chamberlin S.E., Y. Wang, K.A. Lopata, T.C. Kaspar, A. Cohn, D.R. Gamelin, and N. Govind, et al. 2013. "Optical Absorption and Spectral Photoconductivity in a-(Fe1-xCrx)2O3 Solid-Solution Thin Films." Journal of Physics: Condensed Matter 25, no. 39:392002. PNNL-SA-95698. doi:10.1088/0953-8984/25/39/392002

Chambers S.A., M. Gu, P.V. Sushko, H. Yang, C.M. Wang, and N.D. Browning. 2013. "Ultra-low contact resistance at an epitaxial metal/oxide heterojunction through interstitial site doping." Advanced Materials 25, no. 29:4001-4005. PNNL-SA-92870. doi:10.1002/adma.201301030

Chase Z., J.L. Fulton, D.M. Camaioni, D. Mei, M. Balasubramanian, V.T. Pham, and C. Zhao, et al. 2013. "State of Supported Pd during Catalysis in Water." Journal of Physical Chemistry C 117, no. 34:17603-17612. PNNL-SA-93158. doi:10.1021/jp404772p

Chatman S.M., P.P. Zarzycki, and K.M. Rosso. 2013. "Surface Potentials of (001), (012), (113) Hematite (a-Fe2O3) Crystal Faces in Aqueous Solution." Physical Chemistry Chemical Physics. PCCP 15, no. 33:13911-139-21. PNNL-SA-95956. doi:10.1039/c3cp52592a

Chatman S.M., P.P. Zarzycki, T. Preocanin, and K.M. Rosso. 2013. "Effect of Surface Site Interactions on Potentiometric Titration of Hematite (a-Fe2O3) Crystal Faces." Journal of Colloid and Interface Science 391. PNNL-SA-89089. doi:10.1016/j.jcis.2012.09.081

Chatterjee S., A.S. Del Negro, F.N. Smith, Z. Wang, S.E. Hightower, B.P. Sullivan, and W.R. Heineman, et al. 2013. "Photophysics and Luminescence Spectroelectrochemistry of [Tc(dmpe)3]+/2+ (dmpe = 1,2-bis(dimethylphosphino)ethane)." Journal of Physical Chemistry A 117, no. 48:12749-12758. PNNL-SA-96822. doi:10.1021/jp406365c

Chen B., W.N. Qi, X. Li, C. Lei, and J. Liu. 2013. "Heated Proteins are Still Active in a Functionalized Nanoporous Support." Small 9, no. 13:2228-2232. PNNL-SA-89038. doi:10.1002/smll.201202409

Chen X., G.E. Hammond, C.J. Murray, M.L. Rockhold, V.R. Vermeul, and J.M. Zachara. 2013. "Applications of Ensemble-based Data Assimilation Techniques for Aquifer Characterization using Tracer Data at Hanford 300 Area." Water Resources Research 49. PNNL-SA-91954. doi:10.1002/2012WR013285

Clikeman T.T., S. Deng, S. Avdoshenko, X.B. Wang, A.A. Popov, S.H. Strauss, and O.V. Boltalina. 2013. "Fullerene "Superhalogen" Radicals: The Substituent Effect on Electronic Properties of 1,7,11,24,27-C60X5." Chemistry - A European Journal 19, no. 45:15404-15409. PNNL-SA-98359. doi:10.1002/chem.201301234

Colby R.J., L. Qiao, H. Zhang, V. Shutthanandan, J. Ciston, B.C. Kabius, and S.A. Chambers. 2013. "Cation Intermixing And Electronic Deviations At The Insulating LaCrO3/SrTiO3(001) Interface." Physical Review. B, Condensed Matter and Materials Physics 88, no. 15:155325-1 to 155325-9. PNNL-SA-95605. doi:10.1103/PhysRevB.88.155325

Craig N.C., Y. Chen, Y. Lu, C.F. Neese, D.J. Nemchick, and T.A. Blake. 2013. "Analysis of the rotational structure in the high-resolution infrared spectra of cis,cis- and trans,trans-1,4-difluorobutadiene-1-d1 and trans,trans-1,4-difluorobutadiene-1,4-d2." Journal of Molecular Spectroscopy 288. PNNL-SA-93686. doi:10.1016/j.jms.2013.03.006

Dai Y., L. Yang, J. Nie, K.M. Fan, S. Peng, X. Long, and X. Zhou, et al. 2013. "Mechanical and Electronic Properties of A1-xBxHy (A and B =Ti, Zr, Hf) Hydride Alloys: A First-principles Study." Journal of Alloys and Compounds 581. PNNL-SA-97680. doi:10.1016/j.jallcom.2013.07.117

Daily M.D., J. Chun, A. Heredia-Langner, G. Wei, and N.A. Baker. 2013. "Origin of parameter degeneracy and molecular shape relationships in geometric-flow calculations of solvation free energies." Journal of Chemical Physics 139, no. 20:Article No. 204108. PNWD-SA-10185. doi:10.1063/1.4832900

Dang L.X., and H.V. Annapureddy. 2013. "Computational Studies of Water Exchange around Aqueous Li+ with Polarizable Potential Models." Journal of Chemical Physics 139, no. 8:084506. PNNL-SA-96419. doi:10.1063/1.4819135

Dang L.X., X. Sun, B. Ginovska-Pangovska, H.V. Annapureddy, and T.B. Truong. 2013. "Understanding ion-ion interactions in bulk and aqueous interfaces using molecular simulations." Faraday Discussions 160, no. 0:151-160. PNNL-SA-87569. doi:10.1039/c2fd20093g

Darkins R., M.L. Sushko, J. Liu, and D.M. Duffy. 2013. "Adhesion of sodium dodecyl sulfate surfactant monolayers with TiO2 (rutile and anatase) surfaces." Langmuir 29, no. 37:11609-11614. PNNL-SA-95646. doi:10.1021/la401469f

Das A.K., M.H. Engelhard, F. Liu, R.M. Bullock, and J.A. 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, no. 23:13674-13684. PNNL-SA-97311. doi:10.1021/ic402247n

Deng H., W.Y. Hu, F. Gao, H.L. Heinisch, S.Y. Hu, Y. Li, and R.J. Kurtz. 2013. "Diffusion of Small He Clusters in Bulk and Grain Boundaries in a-Fe." Journal of Nuclear Materials 442, no. 1-3:S667-S673. PNNL-SA-94501. doi:10.1016/j.jnucmat.2013.02.063

Deng L., S.A. McFarlane, and J.E. Flaherty. 2013. "Characteristics Associated with the Madden-Julian Oscillation at Manus Island." Journal of Climate 26, no. 10:3342-3356. PNNL-SA-80320. doi:10.1175/JCLI-D-12-00312.1

Devanathan R., F. Gao, and C.J. Sundgren. 2013. "Role of cation choice in the radiation tolerance of pyrochlores." RSC Advances 3, no. 9:2901-2909. PNNL-SA-91744. doi:10.1039/C2RA22745B

Devanathan R., N.B. Idupulapati, M.D. Baer, C.J. Mundy, and M. Dupuis. 2013. "Ab initio molecular dynamics simulation of proton hopping in a model polymer membrane." Journal of Physical Chemistry B 117, no. 51:16522-16529. PNNL-SA-98829. doi:10.1021/jp410229u

Ding F., W. Xu, G.L. Graff, J. Zhang, M.L. Sushko, X. Chen, and Y. Shao, et al. 2013. "Dendrite-Free Lithium Deposition via Self-Healing Electrostatic Shield Mechanism." Journal of the American Chemical Society 135, no. 11:4450-4456. PNNL-SA-88286. doi:10.1021/ja312241y

Ding F., W. Xu, X. Chen, J. Zhang, M.H. Engelhard, Y. Zhang, and B.R. Johnson, et al. 2013. "Effects of Carbonate Solvents and Lithium Salts on Morphology and Coulombic Efficiency of Lithium Electrode." Journal of the Electrochemical Society 160, no. 10:A1894-A1901. PNNL-SA-96244. doi:10.1149/2.100310jes

Dutta A., S. Lense, J. Hou, M.H. Engelhard, J.A. Roberts, and W.J. Shaw. 2013. "Minimal Proton Channel Enables H2 Oxidation and Production with a Water-Soluble Nickel-Based Catalyst." Journal of the American Chemical Society 135, no. 49:18490-18496. PNNL-SA-96915. doi:10.1021/ja407826d

Edmondson P.D., N.P. Young, C.M. Parish, S.J. Moll, F. Namavar, W.J. Weber, and Y. Zhang. 2013. "Ion-Beam-Induced Chemical Mixing at a Nanocrystalline CeO2-Si Interface." Journal of the American Ceramic Society 96, no. 5:1666-1672. doi:10.1111/jace.12214

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Wang J., S. Ganguly, S. Sen, N.D. Browning, and S.M. Kauzlarich. 2013. "Synthesis and characterization of P-doped amorphous and nanocrystalline Si." Polyhedron 58, no. Special Issue:156-161. PNNL-SA-89833. doi:10.1016/j.poly.2012.10.011

Wang X., J.C. Hanson, J. Kwak, J. Szanyi, and C.H. 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, no. 8:3915-3922. PNNL-SA-90332. doi:10.1021/jp308307m

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Wang Y., Z. Li, T.J. Weber, D. Hu, C.T. Lin, J. Li, and Y. Lin. 2013. "In Situ Live Cell Sensing of Multiple Nucleotides Exploiting DNA/RNA Aptamers and Graphene Oxide Nanosheets." Analytical Chemistry 85, no. 14:6775-6782. PNNL-SA-96634. doi:10.1021/ac400858g

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White G.F., Z. Shi, L. Shi, Z. Wang, A. Dohnalkova, M.J. Marshall, and J.K. Fredrickson, et al. 2013. "Rapid electron exchange between surface-exposed bacterial cytochromes and Fe(III) minerals." Proceedings of the National Academy of Sciences of the United States of America 110, no. 16:6346-6351. PNNL-SA-94506. doi:10.1073/pnas.1220074110

Wiedner E.S., A.M. Appel, D.L. DuBois, and R.M. Bullock. 2013. "Thermochemical and Mechanistic Studies of Electrocatalytic Hydrogen Production by Cobalt Complexes Containing Pendant Amines." Inorganic Chemistry 52, no. 24:14391-14403. PNNL-SA-98467. doi:10.1021/ic4025475

Wiedner E.S., J.A. Roberts, W.G. Dougherty, W.S. Kassel, D.L. DuBois, and R.M. Bullock. 2013. "Synthesis and Electrochemical Studies of Cobalt(III) Monohydride Complexes Containing Pendant Amines." Inorganic Chemistry 52, no. 17:9975-9988. PNNL-SA-95739. doi:10.1021/ic401232g

Wiese S., U.J. Kilgore, M. Ho, S. Raugei, D.L. DuBois, R.M. Bullock, and M.L. Helm. 2013. "Hydrogen Production using Nickel Electrocatalysts with Pendant Amines: Ligand Effects on Rates and Overpotentials." ACS Catalysis 3, no. 11:2527-2535. PNNL-SA-95190. doi:10.1021/cs400638f

Williams R., J. Grim, Q. Li, K.B. Ucer, G.A. Bizarri, S.N. Kerisit, and F. Gao, et al. 2013. "Experimental and computational results on exciton/free-carrier ratio, hot/thermalized carrier diffusion, and linear/nonlinear rate constants affecting scintillator proportionality." In Hard X-Ray, Gamma-Ray, and Neutron Detector Physics XV, August 25, 2013, San Diego, California. Proceedings of the SPIE, edited by M Fiederle, et al, 8852, Paper No. 88520J. Bellingham, Washington:SPIE. PNNL-SA-99335. doi:10.1117/12.2027716

Williams S.D., T.J. Johnson, S.W. Sharpe, V. Yavelak, R.P. Oats, and C.S. Brauer. 2013. "Quantitative Vapor-phase IR Intensities and DFT Computations to Predict Absolute IR Spectra based on Molecular Structure: I. Alkanes." Journal of Quantitative Spectroscopy and Radiative Transfer 129. PNNL-SA-93165. doi:10.1016/j.jqsrt.2013.07.005

Woehl T.J., K.L. Jungjohann, J.E. Evans, I. Arslan, W.D. Ristenpart, and N.D. Browning. 2013. "Experimental procedures to mitigate electron beam induced artifacts during in situ fluid imaging of nanomaterials." Ultramicroscopy 127. PNNL-SA-85659. doi:10.1016/j.ultramic.2012.07.018

Wright C.R., J. Holmes, J.W. Nibler, K. Hedberg, J.D. White, L. Hedberg, and A. Weber, et al. 2013. "High-Resolution Infrared and Electron-Diffraction Studies of Trimethylenecyclopropane ([3]-Radialene)." Journal of Physical Chemistry A 117, no. 19:4035-4043. PNNL-SA-95554. doi:10.1021/jp401813t

Wu X., and L. Deng. 2013. "Comparison of Moist Static Energy and Budget between the GCM-Simulated Madden-Julian Oscillation and Observations over the Indian Ocean and Western Pacific." Journal of Climate 26, no. 14:4981-4993. PNNL-SA-101186. doi:10.1175/JCLI-D-12-00607.1

Xia T., R.F. Hamilton, J.C. Bonner, E.D. Crandall, A.C. Elder, F. Fazlollahi, and T.A. Girtsman, et al. 2013. "Interlaboratory Evaluation of in Vitro Cytotoxicity and Inflammatory Responses to Engineered Nanomaterials: The NIEHS Nano GO Consortium." Environmental Health Perspectives 121, no. 6:683-690. PNNL-SA-96811. doi:10.1289/ehp.1306561

Xia Y., K. Zhu, T.C. Kaspar, Y. Du, B. Birmingham, K.T. Park, and Z. Zhang. 2013. "Atomic Structure of the Anatase TiO2(001) Surface." Journal of Physical Chemistry Letters 4, no. 17:2958-2963. PNNL-SA-96795. doi:10.1021/jz401284u

Xiao H.Y., W.J. Weber, and Y. Zhang. 2013. "First-principles study of the stability and migration of Kr, I and Xe in ZrO2." Journal of Nuclear Materials 446, no. 1-3:172-177. doi:10.1016/j.jnucmat.2013.11.044

Xiao H.Y., Y. Zhang, and W.J. Weber. 2013. "Stability and Migration of Charged Oxygen Interstitials in ThO2 and CeO2." Acta Materialia 61, no. 20:7639-7645. doi:10.1016/j.actamat.2013.09.001

Xiao J., J. Zheng, X. Li, Y. Shao, and J. Zhang. 2013. "Hierarchically Structured Materials for Lithium Batteries." Nanotechnology 24, no. 42:Article No. 424004. PNNL-SA-95453. doi:10.1088/0957-4484/24/42/424004

Xiao J., X. Yu, J. Zheng, Y. Zhou, F. Gao, X. Chen, and J. Bai, et al. 2013. "Interplay between two-phase and solid solution reactions in high voltage spinel cathode material for lithium ion batteries." Journal of Power Sources 242. PNNL-SA-92949. doi:10.1016/j.jpowsour.2013.05.148

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Yan L., D.D. Laskar, S. Lee, and B. Yang. 2013. "Aqueous phase catalytic conversion of agarose to 5-hydroxymethylfurfural by metal chlorides." RSC Advances 3, no. 46:24090-24098. PNNL-SA-89336. doi:10.1039/C3RA43293A

Yang H., H.S. Lee, M.C. Sarahan, Y. Sato, M. Chi, P. Moeck, and Y. Ikuhara, et al. 2013. "Quantifying stoichiometry-induced variations in structure and energy of a SrTiO3 symmetric S13 {510}/<100?>?grain boundary." Philosophical Magazine A 93, no. 10-12:1219-1229. PNNL-SA-97125. doi:10.1080/14786435.2012.746479

Yang J.Y., S.E. Smith, T.L. Liu, W.G. Dougherty, W.A. Hoffert, W.S. Kassel, and M. Rakowski DuBois, et al. 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, no. 26:9700-9712. PNNL-SA-92342. doi:10.1021/ja400705a

Yang L., F. Gao, H.L. Heinisch, and R.J. Kurtz. 2013. "ATOMISTIC STUDIES OF HELIUM BUBBLE NUCLEATION AT GRAIN BOUNDARIES IN a-Fe." In Fusion Materials Semiannual Report for the Period Ending December 31, 2012. 108-114. Oak Ridge, Tennessee:Oak Ridge National Lab. PNNL-SA-93923.

Yang L., H. Deng, F. Gao, H.L. Heinisch, R.J. Kurtz, S.Y. Hu, and Y. Li, et al. 2013. "Atomistic studies of nucleation of He clusters and bubbles in BCC iron." Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 303. PNNL-SA-92902. doi:10.1016/j.nimb.2012.11.025

Yang L., Z. Zhu, X. Yu, S. Thevuthasan, and J.P. Cowin. 2013. "Performance of a Microfluidic Device for In Situ ToF-SIMS Analysis of Selected Organic Molecules at Aqueous Surfaces." Analytical Methods 5, no. 10:2515-2522. PNNL-SA-85181. doi:10.1039/c3ay26513g

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Yang Y., C.A. Mims, D. Mei, C.H. Peden, and C.T. 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. PNNL-SA-89600. doi:10.1016/j.jcat.2012.10.028

Yokelson R.J., I.R. Burling, J. Gilman, C. Warneke, C.E. Stockwell, J.A. de Gouw, and S. Akagi, et al. 2013. "Coupling field and laboratory measurements to estimate the emission factors of identified and unidentified trace gases for prescribed fires." Atmospheric Chemistry and Physics 13, no. 1:89-116. PNNL-SA-89044. doi:10.5194/acp-13-89-2013

Yoon Y. 2013. "Characterization of CO2 behavior on rutile TiO2 (110) surface." In Application of Molecular Modeling to Challenges in Clean Energy. ACS Symposium Series, edited by G Fitzgerald and N Govind. 51-66. Washington Dc:American Chemical Society. PNNL-SA-91634.

Zachara J.M., E.S. Ilton, and C. Liu. 2013. "Reactive Transport of the Uranyl Ion in Soils, Sediments, and Groundwater Systems." In Uranium - Cradle to Grave. Short Course Series, edited by PC Burns and GE Sigmon. 255-299. Quebec, :Mineralogical Association of Canada. PNNL-SA-94443.

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Zammit M., C.L. DiMaggio, C.H. Kim, C. Lambert, G.G. Muntean, C.H. Peden, and J.E. Parks, et al. 2013. Future Automotive Aftertreatment Solutions: The 150°C Challenge Workshop Report. PNNL-22815. Richland, WA: Pacific Northwest National Laboratory. Future Automotive Aftertreatment Solutions: The 150°C Challenge Workshop Report

Zhan H., J. Xiao, Z. Nie, X. Li, C.M. Wang, J. Zhang, and J. Liu. 2013. "Nanostructured materials for rechargeable batteries: synthesis, fundamental understanding and limitations." Current Opinion in Chemical Engineering 2, no. 2:151-159. PNNL-SA-92437. doi:10.1016/j.coche.2013.03.007

Zhang C., C. Liu, and Z. Shi. 2013. "Micromodel Investigation of Transport Effect on the Kinetics of Reductive Dissolution of Hematite." Environmental Science & Technology 47, no. 9:4131-4139. PNNL-SA-91211. doi:10.1021/es304006w

Zhang J., D. Hrovat, Z. Sun, X. Bao, W. Borden, and X.B. Wang. 2013. "The Ground State of (CS)4 Is Different from that of (CO)4: An Experimental Test of a Computational Prediction by Negative Ion Photoelectron Spectroscopy." Journal of Physical Chemistry A 117, no. 33:7841-7846. PNNL-SA-96467. doi:10.1021/jp406160d

Zhang J., I.V. Kutnyakov, P.K. Koech, A. Zwoster, C.J. Howard, F. Zheng, and C.J. Freeman, et al. 2013. "CO2-Binding-Organic-Liquids-Enhanced CO2 Capture using Polarity-Swing-Assisted Regeneration." Energy Procedia 37. PNNL-SA-91349. doi:10.1016/j.egypro.2013.05.113

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, no. 15:4631-4641. PNNL-SA-93417. doi:10.1039/C3TA01161E

Zhang W., X. Ge, Y. Tang, D. Du, D. Liu, and Y. Lin. 2013. "Nanoparticle-Based Immunochromatographic Test Strip with Fluorescent Detector for Quantification of Phosphorylated Acetycholinesterase: An Exposure Biomarker of Organophosphorous Agents." Analyst 138, no. 18:5431-5436. PNNL-SA-96290. doi:10.1039/c3an00621b

Zhang W., Y. Tang, D. Du, J.N. Smith, C. Timchalk, D. Liu, and Y. Lin. 2013. "Direct analysis of trichloropyridinol in human saliva using an Au nanoparticles-based immunochromatographic test strip for biomonitoring of exposure to chlorpyrifos." Talanta 114. PNWD-SA-10139. doi:10.1016/j.talanta.2013.06.012

Zhang X., H. Wang, C. Yang, D. Du, and Y. Lin. 2013. "Preparation, characterization of Fe3O4 at TiO2 magnetic nanoparticles and their application for immunoassay of biomarker of exposure to organophosphorus pesticides." Biosensors and Bioelectronics 41. PNNL-SA-92347. doi:10.1016/j.bios.2012.09.047

Zhao J., M. Liu, Y. Zhang, H. Li, Y. Lin, and S. Yao. 2013. "Apoferritin Protein Nanoparticles Dually labeled with Aptamer and Horseradish Peroxidase as a Sensing Probe for Thrombin Detection." Analytica Chimica Acta 759. PNNL-SA-92301. doi:10.1016/j.aca.2012.10.041

Zhao Y., W. Zhang, Y. Lin, and D. Du. 2013. "The Vital Function of Fe3O4@Au nanocomposites for Hydrolase Biosensor Design and Its Application in Detection of Methyl Parathion." Nanoscale 5, no. 3:1121-1126. PNNL-SA-92348. doi:10.1039/C2NR33107A

Zheng J., D. Lu, M. Gu, C.M. Wang, J. Zhang, J. Liu, and J. Xiao. 2013. "How to Obtain Reproducible Results for Lithium Sulfur Batteries." Journal of the Electrochemical Society 160, no. 11:A2288-A2292. PNNL-SA-97863. doi:10.1149/2.106311jes

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Zheng J., M. Gu, H. Chen, P. Meduri, M.H. Engelhard, J. Zhang, and J. Liu, et al. 2013. "Ionic Liquid-Enhanced Solid State Electrolyte Interface (SEI) for Lithium Sulfur Batteries." Journal of Materials Chemistry A 1, no. 29:8464-8470. PNNL-SA-91943. doi:10.1039/C3TA11553D

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2012

Aguayo Navarrete E., D.J. Reid, and J.E. Fast. 2012. Majorana Demonstrator Bolted Joint Mechanical and Thermal Analysis. PNNL-21510. Richland, WA: Pacific Northwest National Laboratory. Majorana Demonstrator Bolted Joint Mechanical and Thermal Analysis

Aguayo Navarrete E., J.E. Fast, and D.J. Reid. 2012. "DESIGN OF A THERMOSIPHON FOR COOLING LOW-BACKGROUND HPGE ARRAYS." In Joint Conference on Transactions of the Cryogenic Engineering Conference (CEC)/International Cryogenic Materials Conference (ICMC), June 13-17, 2011, Spokane, Washington. ADVANCES IN CRYOGENIC ENGINEERING, vol. 57. AIP Conference Proceedings, edited by JG Weisend, et al, 1434, 425-432. Melville, New York:American Institute of Physics. PNNL-SA-80941. doi:10.1063/1.4706948

Aguayo Navarrete E., R.T. Kouzes, J.L. Orrell, D.J. Reid, and J.E. Fast. 2012. Optimization of the Transport Shield for Neutrinoless Double Beta-decay Enriched Germanium. PNNL-21302. Richland, WA: Pacific Northwest National Laboratory. Optimization of the Transport Shield for Neutrinoless Double Beta-decay Enriched Germanium

Aguayo Navarrete E., R.T. Kouzes, J.L. Orrell, T.J. Berguson, and A.T. Greene. 2012. Estimation of Cosmic Induced Contamination in Ultra-low Background Detector Materials. PNNL-21696. Richland, WA: Pacific Northwest National Laboratory. Estimation of Cosmic Induced Contamination in Ultra-low Background Detector Materials

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Balaguru K., P. Chang, R. Saravanan, L.R. Leung, Z. Xu, M. Li, and J. Hsieh. 2012. "Ocean Barrier Layers’ Effect on Tropical Cyclone Intensification." Proceedings of the National Academy of Sciences of the United States of America 109, no. 36:14343-14347. PNNL-SA-82715. doi:10.1073/pnas.1201364109

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Buck E.C., R.S. Wittman, F.N. Skomurski, K.J. Cantrell, B.K. McNamara, and C.Z. Soderquist. 2012. Radiolysis Process Model. PNNL-21554. Richland, WA: Pacific Northwest National Laboratory. Radiolysis Process Model

Camaioni D.M., B. Ginovska-Pangovska, G.K. Schenter, S.M. Kathmann, and T. Autrey. 2012. "Analysis of the Activation and Heterolytic Dissociation of H2 by Frustrated Lewis Pairs: NH3/BX3 (X = H, F, and Cl)." Journal of Physical Chemistry A 116, no. 26:7228-7237. PNNL-SA-85092. doi:10.1021/jp3039829

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Wang G., R.J. Serne, M.J. Lindberg, W. Um, B.N. Bjornstad, B.D. Williams, and I.V. Kutynakov, et al. 2012. Uranium in Hanford Site 300 Area: Extraction Data on Borehole Sediments. PNNL-22032. Richland, WA: Pacific Northwest National Laboratory. Uranium in Hanford Site 300 Area: Extraction Data on Borehole Sediments

Wang G., X. Sun, F. Lu, H. Sun, M. Yu, W. Jiang, and C. Liu, et al. 2012. "Flexible Pillared Graphene-Paper Electrodes for High-Performance Electrochemical Supercapacitors." Small 8, no. 3:452-459. PNNL-SA-85651. doi:10.1002/smll.201101719

Wang H. 2012. "In-Situ Measurement of Chirality of Molecules and Molecular Assemblies with Surface Nonlinear Spectroscopy." In Comprehensive Chiroptical Spectroscopy: Instrumentation, Methodologies, and Theoretical Simulations, edited by N Berova; PL Polavarapu; K Nakanishi; RW Woody. 373-406. Hoboken, New Jersey:John Wiley & Sons, Inc. PNNL-SA-74802.

Wang L., D. Wang, J. Liu, and G.J. Exarhos. 2012. "Probing Porosity and Pore Interconnectivity in Self-Assembled TiO2-Graphene Hybrid Nanostructures Using Hyperpolarized 129Xe NMR." Journal of Physical Chemistry C 116, no. 1:22-29. PNNL-SA-78124. doi:10.1021/jp2047008

Wang W., L. Li, Z. Nie, B. Chen, Q. Luo, Y. Shao, and X. Wei, et al. 2012. "A New Hybrid Redox Flow Battery with Multiple Redox Couples." Journal of Power Sources 216. PNNL-SA-84238. doi:10.1016/j.jpowsour.2012.05.032

Wang X.J., H.Y. Xiao, X. Zu, and W.J. Weber. 2012. "A DFT + U study of cerium solubility in La2Zr2O7." Journal of Nuclear Materials 424, no. 1-3:69-74. doi:10.1016/j.jnucmat.2012.02.008

Wang X.J., H.Y. Xiao, X. Zu, Y. Zhang, and W.J. Weber. 2012. "Ab initio molecular dynamics simulations of ion-solid interactions in Gd2Zr2O7 and Gd2Ti2O7." Journal of Materials Chemistry C 1, no. 8:1665-1673. doi:10.1039/C2TC00192F

Wang Z., N.A. Deskins, and I. Lyubinetsky. 2012. "Direct Imaging of Site-Specific Photocatalytic Reactions of O2 on TiO2(110)." The Journal of Physical Chemistry Letters 3, no. 1:102-106. PNNL-SA-83535. doi:10.1021/jz2014055

Wang Z., N.A. Deskins, M.A. Henderson, and I. Lyubinetsky. 2012. "Inhibitive Influence of Oxygen Vacancies for Photoactivity on TiO2(110)." Physical Review Letters 109, no. 26:Article No. 266103. PNNL-SA-91639. doi:10.1103/PhysRevLett.109.266103

Wang Z., Y. Xie, L.W. Campbell, F. Gao, and S.N. Kerisit. 2012. "Monte Carlo simulations of electron thermalization in alkali iodide and alkaline-earth fluoride scintillators." Journal of Applied Physics 112, no. 1:014906. PNNL-SA-85589. doi:10.1063/1.4736088

Wang Z., Y. Zhou, J. Bang, M.P. Prange, S. Zhang, and F. Gao. 2012. "Modification of Defect Structures in Graphene by Electron Irradiation: Ab Initio Molecular Dynamics Simulations." Journal of Physical Chemistry C 116, no. 30:16070-16079. PNNL-SA-89161. doi:10.1021/jp303905u

Wang Z., Y. Zhou, Y. Zhang, and F. Gao. 2012. "Band-Gap Engineering of Carbon Nanotubes with Grain Boundaries." Journal of Physical Chemistry C 116, no. 3:2271-2277. PNNL-SA-84822. doi:10.1021/jp208229b

Warner C.L., W. Chouyyok, K.E. Mackie, D. Neiner, L. Saraf, T.C. Droubay, and M.G. Warner, et al. 2012. "Manganese Doping of Magnetic Iron Oxide Nanoparticles: Tailoring Surface Reactivity for a Regenerable Heavy Metal Sorbent." Langmuir 28, no. 8:3931-3937. PNNL-SA-81002. doi:10.1021/la2042235

Watrous J.D., P.J. Roach, T. Alexandrov, B.S. Heath, J.Y. Yang, R. Kersten, and M. vander Voort, et al. 2012. "Mass Spectral Molecular Networking of Living Microbial Colonies." Proceedings of the National Academy of Sciences of the United States of America 109, no. 26:E1743-E1752. PNNL-SA-88885. doi:10.1073/pnas.1203689109

Weber W.J., Y. Zhang, and L.M. Wang. 2012. "Review of Dynamic Recovery Effects on Ion Irradiation Damage in Ionic-Covalent Materials." Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 277. doi:10.1016/j.nimb.2011.12.043

Weiss C.J., A.N. Groves, M.T. Mock, W.G. Dougherty, W.S. Kassel, M.L. Helm, and D.L. DuBois, et al. 2012. "Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines." Dalton Transactions 41, no. 15:4517-4529. PNNL-SA-84204. doi:10.1039/C2DT12224C

Wen Q., X. Li, B. Chen, P. Yao, C. Lei, and J. Liu. 2012. "Intramesoporous Silica Structure Differentiating Protein Loading Density." Materials Letters 75. PNNL-SA-81847. doi:10.1016/j.matlet.2012.01.128

White G.F., Z. Shi, L. Shi, A. Dohnalkova, J.K. Fredrickson, J.M. Zachara, and J.N. Butt, et al. 2012. "Development of a Proteoliposome Model to Probe Transmembrane Electron-Transfer Reactions." Biochemical Society: Transactions 40, no. 6:1257-1260. PNNL-SA-88014. doi:10.1042/BST20120116

Wiebenga M.H., C.H. Kim, S.J. Schmieg, S.H. Oh, D.B. Brown, D. Kim, and J.H. Lee, et al. 2012. "Deactivation Mechanisms of Pt/Pd-based Diesel Oxidation Catalysts." Catalysis Today 184, no. 1:197-204. PNNL-SA-84266. doi:10.1016/j.cattod.2011.11.014

Wiedner E.S., J.Y. Yang, S. Chen, S. Raugei, W.G. Dougherty, W.S. Kassel, and M.L. Helm, et al. 2012. "Stabilization of Nickel Complexes with Ni0···H-N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands." Organometallics 31, no. 1:144-156. PNNL-SA-81603. doi:10.1021/om200709z

Wiese S., U.J. Kilgore, D.L. DuBois, and R.M. Bullock. 2012. "[Ni(PMe2NPh2)2](BF4)2 as an Electrocatalyst for H2 Production." ACS Catalysis 2, no. 5:720-727. PNNL-SA-85032. doi:10.1021/cs300019h

Wiley J.G., and K.L. Manke. 2012. "Biofuels from Bacteria Is PNNL Biochemist’s Goal (DOE Pulse Profile)." DOE Pulse 353, no. January 2, 2012. PNNL-SA-84514.

Windisch C.F., B.P. McGrail, and G.D. Maupin. 2012. Soret Effect Study on High-Pressure CO2-Water Solutions Using UV-Raman Spectroscopy and a Concentric-Tube Optical Cell. PNNL-21156. Richland, WA: Pacific Northwest National Laboratory. Soret Effect Study on High-Pressure CO2-Water Solutions Using UV-Raman Spectroscopy and a Concentric-Tube Optical Cell

Windisch C.F., G.D. Maupin, and B.P. McGrail. 2012. "Ultraviolet (UV) Raman Spectroscopy Study of the Soret Effect in High-Pressure CO2-Water Solutions." Applied Spectroscopy 66, no. 7:731-739. PNNL-SA-85022. doi:10.1366/12-06591

Windisch C.F., H.T. Schaef, P.F. Martin, A.T. Owen, and B.P. McGrail. 2012. "Following 18O uptake in scCO2-H2O mixtures with Raman spectroscopy." Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy 94. PNNL-SA-84943. doi:10.1016/j.saa.2012.03.065

Windisch C.F., V.A. Glezakou, P.F. Martin, B.P. McGrail, and H.T. Schaef. 2012. "Raman Spectrum of Supercritical C18O2 and Re-Evaluation of the Fermi Resonance." Physical Chemistry Chemical Physics. PCCP 14, no. 8:2560-2566. PNNL-SA-79421. doi:10.1039/c1cp22349f

Woehl T.J., J.E. Evans, I. Arslan, W.D. Ristenpart, and N.D. Browning. 2012. "Direct in Situ Determination of the Mechanisms Controlling Nanoparticle Nucleation and Growth." ACS Nano 6, no. 10:8599-8610. PNNL-SA-87715. doi:10.1021/nn303371y

Xia Y., B. Zhang, J. Ye, Q. Ge, and Z. Zhang. 2012. "Acetone-Assisted Oxygen Vacancy Diffusion on TiO2(110)." Journal of Physical Chemistry Letters 3, no. 20:2970-2974. doi:10.1021/jz301293y

Xiao H.Y., Y. Zhang, and W.J. Weber. 2012. "Ab Initio Molecular Dynamics Simulations of Low-Energy Recoil Events in ThO2, CeO2, and ZrO2." Physical Review. B, Condensed Matter and Materials Physics 86, no. 5:054109. doi:10.1103/PhysRevB.86.054109

Xiao H.Y., Y. Zhang, and W.J. Weber. 2012. "Enhanced Electronic Conductivity by Controlled Self-Doping in Pyrochlores." Physical Chemistry Chemical Physics. PCCP 14, no. 18:6556-6560. doi:10.1039/C2CP40744B

Xiao H.Y., Y. Zhang, and W.J. Weber. 2012. "Impact of Point Defects on Electronic Structure in Y2Ti2O7." RSC Advances 2, no. 18:7235-7240. doi:10.1039/C2RA21099A

Xiao H.Y., Y. Zhang, and W.J. Weber. 2012. "Thermodynamic properties of CexTh1-xO2 solid solution from first-principles calculations." Acta Materialia 61, no. 2:467-476. doi:10.1016/j.actamat.2012.09.050

Xiao H.Y., Y. Zhang, L.L. Snead, V. Shutthanandan, H. Xue, and W.J. Weber. 2012. "Near-surface and bulk behavior of Ag in SiC." Journal of Nuclear Materials 420, no. 1-3:123-130. PNNL-SA-83246. doi:10.1016/j.jnucmat.2011.09.028

Xiao J., X. Chen, P.V. Sushko, M.L. Sushko, L. Kovarik, J. Feng, and Z. Deng, et al. 2012. "High-Performance LiNi0.5Mn1.5O4 Spinel Controlled by Mn3+ Concentration and Site Disorder." Advanced Materials 24, no. 16:2109-2116. PNNL-SA-84168. doi:10.1002/adma.201104767

Xiao L., Y. Cao, J. Xiao, B. Schwenzer, M.H. Engelhard, L.V. Saraf, and Z. Nie, et al. 2012. "A Soft Approach to Encapsulate Sulfur: Polyaniline Nanotubes for Lithium-Sulfur Batteries with Long Cycle Life." Advanced Materials 24, no. 9:1176-1181. PNNL-SA-85186. doi:10.1002/adma.201103392

Xiao L., Y. Cao, J. Xiao, W. Wang, L. Kovarik, Z. Nie, and J. Liu. 2012. "High capacity, reversible alloying reactions in SnSb/C nanocomposites for Na-ion battery applications." Chemical Communications 48, no. 27:3321-3323. PNNL-SA-85851. doi:10.1039/C2CC17129E

Xie Y., N.G. Williams, A. Tolic, W.B. Chrisler, J.G. Teeguarden, B.L. Maddux, and J.G. Pounds, et al. 2012. "Aerosolized ZnO nanoparticles induce toxicity in alveolar type II epithelial cells at the air-liquid interface." Toxicological Sciences 125, no. 2:450-461. PNNL-SA-83610. doi:10.1093/toxsci/kfr251

Xu W., A.L. Read, P.K. Koech, D. Hu, C.M. Wang, J. Xiao, and A.B. Padmaperuma, et al. 2012. "Factors Affecting the Battery Performance of Anthraquinone-based Organic Cathode Materials." Journal of Materials Chemistry 22, no. 9:4032-4039. PNNL-SA-83987. doi:10.1039/c2jm15764k

Xu Z., K.M. Rosso, and S.M. Bruemmer. 2012. "Metal Oxidation Kinetics and the Transition from Thin to Thick Films." Physical Chemistry Chemical Physics. PCCP 14, no. 42:14534-14539. PNNL-SA-87165. doi:10.1039/C2CP42760E

Xue H., Y. Zhang, Z. Zhu, W. Zhang, I. Bae, and W.J. Weber. 2012. "Damage Profiles and Ion Distribution in Pt-irradiated SiC." Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 286. PNNL-SA-85617. doi:10.1016/j.nimb.2012.02.014

Yang Y., H. Tu, A. Zhang, D. Du, and Y. Lin. 2012. "Preparation and Characterization of Au-ZrO2-SiO2 Nanocomposite Spheres and Their Application in Enrichment and Detection of Organophosphorus Agents." Journal of Materials Chemistry 22, no. 11:4977-4981. PNNL-SA-85438. doi:10.1039/C2JM15129D

Yantasee W., Y. Lin, and G.E. Fryxell. 2012. "Electrochemical Sensors Based on Nanomaterials for Environmental Monitoring." In Environmental Applications of Nanomaterials: Synthesis, Sorbents And Sensors, edited by GE Fryxell and G Cao. 523-559. London:2nd ed. Imperial College Press. PNNL-SA-94792.

Yezerets A., C.H. Peden, J. Szanyi, I. Nova, and B. Epling. 2012. "Preface: Special Issue on Catalytic Control of Lean-Burn Engine Exhaust Emissions." Catalysis Today 184, no. 1:1. PNNL-SA-85829. doi:10.1016/j.cattod.2012.02.011

Yoo S., and S.S. Xantheas. 2012. "Enhancement of Hydrogen Storage Capacity in Hydrate Lattices." Chemical Physics Letters 525-526. PNNL-SA-83751. doi:10.1016/j.cplett.2011.12.036

Yoo S., and S.S. Xantheas. 2012. "Structures, Energetics and Spectroscopic Fingerprints of Water Clusters n = 2-24." In Handbook of Computational Chemistry, edited by J. Leszczynski. 761-792. New York, New York:Springer. PNNL-SA-71508.

Yu J., M.L. Sushko, S.N. Kerisit, K.M. 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, no. 15:2076-2081. PNNL-SA-87002. doi:10.1021/jz300562v

Yu Y., B. Chen, W.N. 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. PNNL-SA-73485. doi:10.1016/j.micromeso.2011.12.005

Zachara J.M., B.N. Bjornstad, J.N. Christensen, M.S. Conrad, J.K. Fredrickson, M.D. Freshley, and R. Haggerty, et al. 2012. Multi-Scale Mass Transfer Processes Controlling Natural Attenuation and Engineered Remediation: An IFRC Focused on Hanford’s 300 Area Uranium Plume January 2011 to January 2012. PNNL-21169. Richland, WA: Pacific Northwest National Laboratory. Multi-Scale Mass Transfer Processes Controlling Natural Attenuation and Engineered Remediation: An IFRC Focused on Hanford’s 300 Area Uranium Plume January 2011 to January 2012

Zachara J.M., M.D. Freshley, G.V. Last, R.E. Peterson, and B.N. Bjornstad. 2012. Updated Conceptual Model for the 300 Area Uranium Groundwater Plume. PNNL-22048. Richland, WA: Pacific Northwest National Laboratory. Updated Conceptual Model for the 300 Area Uranium Groundwater Plume

Zaveri R.A., W.J. Shaw, D.J. Cziczo, B. Schmid, R. Ferrare, M.L. Alexander, and M. Alexandrov, et al. 2012. "Overview of the 2010 Carbonaceous Aerosols and Radiative Effects Study (CARES)." Atmospheric Chemistry and Physics 12, no. 16:7647-7687. PNNL-SA-84648. doi:10.5194/acp-12-7647-2012

Zelenyuk A., D. Imre, J. Beranek, E.H. Abramson, J.M. Wilson, and M.B. Shrivastava. 2012. "Synergy between Secondary Organic Aerosols and Long Range Transport of Polycyclic Aromatic Hydrocarbons." Environmental Science & Technology 46, no. 22:12459-12466. PNNL-SA-85256. doi:10.1021/es302743z

Zhang J., W. Wang, J. Xiao, W. Xu, G.L. Graff, Z. Yang, and D. Choi, et al. 2012. "Silicon Based Anodes for Li-Ion Batteries." In Encyclopedia of Sustainability Science and Technology. New York, New York:Springer. PNNL-SA-75702.

Zhang L., A. Zhang, D. Du, and Y. Lin. 2012. "Biosensor based on Prussian blue nanocubes/reduced graphene oxide nanocomposite for detection of organophosphorus pesticides." Nanoscale 4, no. 15:4674-4679. PNNL-SA-88931. doi:10.1039/C2NR30976A

Zhang L., L. Long, W. Zhang, D. Du, and Y. Lin. 2012. "Study of Inhibition, Reactivation and Aging Processes of Pesticides Using Graphene Nanosheets/Gold Nanoparticles-Based Acetylcholinesterase Biosensor." Electroanalysis 24, no. 8:1745-1750. PNNL-SA-89361.

Zhang Y., T. Autrey, and C.M. Wolverton. 2012. "First-principles Prediction of Intermediate Products in the Decomposition of Metal Amidoboranes." Journal of Physical Chemistry C 116, no. 51:26728-26734. PNNL-SA-89945. doi:10.1021/jp3106293

Zhang Z., Y. Guo, Z. Lu, L.A. Velarde Ruiz Esparza, and H. Wang. 2012. "Resolving Two Closely Overlapping -CN Vibrations and Structure in the Langmuir Monolayer of the Long-Chain Nonadecanenitrile by Polarization Sum Frequency Generation Vibrational Spectroscopy." Journal of Physical Chemistry C 116, no. 4:2976-2987. PNNL-SA-83653. doi:10.1021/jp210138s

Zhang Z., Y. Yoon, X. Lin, D.P. Acharya, B.D. Kay, R.J. Rousseau, and Z. Dohnalek. 2012. "OH Group Dynamics of 1, 3-propanediol on TiO2(110)." Journal of Physical Chemistry Letters 3, no. 22:3257-3263. PNNL-SA-90595. doi:10.1021/jz301412m

Zhao C., D.M. Camaioni, and J.A. Lercher. 2012. "Selective catalytic hydroalkylation and deoxygenation of substituted phenols to bicycloalkanes." Journal of Catalysis 288. PNNL-SA-86860. doi:10.1016/j.jcat.2012.01.005

Zhao Y., R.J. 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, no. 30:15952-15961. PNNL-SA-84332. doi:10.1021/jp211055s

Zheng J., J. Xiao, X. Yu, L. Kovarik, M. Gu, F. Omenya, and X. Chen, et al. 2012. "Enhanced Li+ ion transport in LiNi0.5Mn1.5O4 through Control of Site Disorder." Physical Chemistry Chemical Physics. PCCP 14, no. 39:13515-13521. PNNL-SA-88177.

Zhou Y., Z. Wang, J. Nie, P. Yang, X. Sun, M.A. Khaleel, and X. Zu, et al. 2012. "Vacancies in fully hydrogenated boron nitride layer: implications for functional nanodevices." Physica Status Solidi. Rapid Research Letters 6, no. 3:105-107. PNNL-SA-86697. doi:10.1002/pssr.201105513

Zhou Y., Z. Wang, P. Yang, and F. Gao. 2012. "Novel Electronic and Magnetic Properties of Graphene Nanoflakes in a Boron Nitride Layer." Journal of Physical Chemistry C 116, no. 13:7581-7586. PNNL-SA-86479. doi:10.1021/jp300593q

Zhou Y., Z. Wang, P. Yang, X. Sun, X. Zu, and F. Gao. 2012. "Hydrogenated Graphene Nanoflakes: Semiconductor to Half-Metal Transition and Remarkable Large Magnetism." Journal of Physical Chemistry C 116, no. 9:5531-5537. PNNL-SA-85714. doi:10.1021/jp300164b

Zhou Y., Z. Wang, P. Yang, X. Zu, and F. Gao. 2012. "Electronic and Optical Properties of Two-dimensional Covalent Organic Frameworks." Journal of Materials Chemistry 22, no. 33:16964-16970. PNNL-SA-89160. doi:10.1039/c2jm32321d

Zhou Y., Z. Wang, P. Yang, X. Zu, L. Yang, X. Sun, and F. Gao. 2012. "Tensile Strain Switched Ferromagnetism in Layered NbS2 and NbSe2." ACS Nano 6, no. 11:9727-9736. PNNL-SA-91403. doi:10.1021/nn303198w

Zou Z., J. Wang, H. Wang, Y.Q. Li, and Y. Lin. 2012. "An integrated electrochemical device based on immunochromatographic test strip and enzyme labels for sensitive detection of disease-related biomarkers." Talanta 94. PNNL-SA-87212.

2011

Aalseth C.E., E. Aguayo Navarrete, M. Amman, F.T. Avignone, H.O. Back, X. Bai, and A.S. Barabash, et al. 2011. "The Majorana Experiment." Nuclear Physics. B, Proceedings Supplement 217, no. 1:44-46. PNNL-SA-87226. doi:10.1016/j.nuclphysbps.2011.04.063

Aalseth C.E., M. Amman, F.T. Avignone, H.O. Back, A.S. Barabash, P.S. Barbeau, and M. Bergevin, et al. 2011. "Astroparticle physics with a customized low-background broad energy Germanium detector." Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 652, no. 1:692-695. PNNL-SA-87163. doi:10.1016/j.nima.2010.08.100

Aguayo E., J.E. Fast, E.W. Hoppe, M.E. Keillor, J.D. Kephart, R.T. Kouzes, and B.D. LaFerriere, et al. 2011. "The Majorana Demonstrator." In Proceedings of the Meeting of the Division of Particles and Fields of the American Physical Society (DPF-2011), August 9-13, 2011, Providence, Rhode Island, edited by T Speer. College Park, Maryland:American Physical Society. PNNL-SA-102130.

Aguayo E., R.T. Kouzes, and J.L. Orrell. 2011. "Simulations for Tracking Cosmogenic Activation in Germanium and Copper." In IEEE Nuclear Science Symposium and Medical Imaging Conference (NSS/MIC 2011), October 23-29, 2011, Valencia, Spain, 1-4. Piscataway, New Jersey:IEEE. PNNL-SA-83716. doi:10.1109/NSSMIC.2011.7245316

Aguayo Navarrete E. 2011. Noise Performance Evaluation of the Candidate Digitizers for the MAJORANA DEMONSTRATOR. PNNL-20268. Richland, WA: Pacific Northwest National Laboratory. Noise Performance Evaluation of the Candidate Digitizers for the MAJORANA DEMONSTRATOR

Aguayo Navarrete E., D.J. Reid, J.E. Fast, and J.L. Orrell. 2011. Design Considerations for Large Mass Ultra-Low Background Experiments. PNNL-20578. Richland, WA: Pacific Northwest National Laboratory. Design Considerations for Large Mass Ultra-Low Background Experiments

Aguayo Navarrete E., F.T. Avignone, H.O. Back, A.S. Barabash, M. Bergevin, M. Bergevin, and F. Bertrand, et al. 2011. "The MAJORANA Experiment." In AIP Conference Proceedings: Workshop on Calculation of Double-Beta-Decay Matrix Elements (MEDEX `11), June 13-16, 2011, Prague, Czech Republic, 1417. Melville, New York:American Institute of Physics. PNNL-SA-87225. doi:10.1063/1.3671044

Aguayo Navarrete E., J.L. Orrell, A.S. Ankney, and T.J. Berguson. 2011. Recommendations for a Static Cosmic Ray Shield for Enriched Germanium Detectors. PNNL-20740. Richland, WA: Pacific Northwest National Laboratory. Recommendations for a Static Cosmic Ray Shield for Enriched Germanium Detectors

Aguayo Navarrete E., J.L. Orrell, and R.T. Kouzes. 2011. Monte Carlo Simulations of Cosmic Rays Hadronic Interactions. PNNL-20401. Richland, WA: Pacific Northwest National Laboratory. Monte Carlo Simulations of Cosmic Rays Hadronic Interactions

Aguayo Navarrete E., R.T. Kouzes, A.S. Ankney, J.L. Orrell, T.J. Berguson, and M.D. Troy. 2011. Cosmic Ray Interactions in Shielding Materials. PNNL-20693. Richland, WA: Pacific Northwest National Laboratory. Cosmic Ray Interactions in Shielding Materials

Aguayo Navarrete E., R.T. Kouzes, and J.L. Orrell. 2011. Development of a Portable Muon Witness System. PNNL-20194. Richland, WA: Pacific Northwest National Laboratory. Development of a Portable Muon Witness System

Alnajjar M.S., D. Quigley, M. Kuntamukkula, F. Simmons, D. Freshwater, and S. Bigger. 2011. "Methods for the Safe Storage, Handling, and Disposal of Pyrophoric Liquids and Solids in the Laboratory." Journal of Chemical Health & Safety 18, no. 1:5-10. PNNL-SA-70688. doi:10.1016/j.jchas.2010.03.001

Appel A.M., D.H. Pool, M.J. O'Hagan, W.J. Shaw, J.Y. Yang, M. Rakowski DuBois, and D.L. DuBois, et al. 2011. "[Ni(PPh2NBn2)2(CH3CN)]2+ as an Electrocatalyst for H2 Production: Dependence on Acid Strength and Isomer Distribution." ACS Catalysis 1, no. 7:777-785. PNNL-SA-77921. doi:10.1021/cs2000939

Arey B.W., L. Kovarik, Z. Wang, and A.R. Felmy. 2011. "Investigation of Mineral Transformations in Wet Supercritical CO2 by Electron Microscopy." Microscopy and Microanalysis 17, no. Suppl S2:1928-1929. PNNL-SA-81736. doi:10.1017/S1431927611010518

Arey B.W., V. Shutthanandan, Y. Xie, A. Tolic, N.G. Williams, and G. Orr. 2011. "Investigation of Cellular Interactions of Nanoparticles by Helium Ion Microscopy." In Scanning Microscopies 2011: Advanced Microscopy Technologies for Defense, Homeland Security, Forensic, Life, Environmental, and Industrial Sciences, April 26, 2011, Orlando, Florida. Proceedings of the SPIE, edited by MT Postek, et al, 8036, Paper No. 80360K. Bellingham, Washington:SPIE. PNNL-SA-78874. doi:10.1117/12.887141

Atta-Fynn R., E.J. Bylaska, G.K. Schenter, and W.A. De Jong. 2011. "Hydration Shell Structure and Dynamics of Curium(III) in Aqueous Solution: First Principles and Empirical Studies." Journal of Physical Chemistry A 115, no. 18:4665-4677. PNNL-SA-77578. doi:10.1021/jp201043f

Autrey T., M.E. Bowden, and A.J. Karkamkar. 2011. "Control of hydrogen release and uptake in amine borane molecular complexes: Thermodynamics of ammonia borane, ammonium borohydride, and the diammoniate of diborane." Faraday Discussions 151, no. 0:157-169. PNNL-SA-76789. doi:10.1039/C0FD00015A

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Feibelman P.J., G.A. Kimmel, R.S. Smith, N.G. Petrik, T. Zubkov, and B.D. Kay. 2011. "A unique vibrational signature of rotated water monolayers on Pt(111): predicted and observed." Journal of Chemical Physics 134, no. 20:Article No. 204702. PNNL-SA-77579. doi:10.1063/1.3591966

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