2022 Publications

Agarwal, R. G.; Coste, S. C.; Groff, B. D.; Heuer, A. M.; Noh, H.; Parada, G. A.; Wise, C. F.; Nichols, E. M.; Warren, J. J.; Mayer, J. M., "Free Energies of Proton-Coupled Electron Transfer Reagents and Their Applications." Chem. Rev. 2022, 122, 1-49. DOI: 10.1021/acs.chemrev.1c00521.

Barona, M.; Johnson, S. I.; Mbea, M.; Bullock, R. M.; Raugei, S., "Computational Investigations of the Reactivity of Metalloporphyrins for Ammonia Oxidation." Top. Catal. 2022, 65, 341-353. DOI: 10.1007/s11244-021-01511-3

Bates, J. S.; Biswas, S.; Suh, S.-E.; Johnson, M. R.; Mondal, B.; Root, T. W.; Stahl, S. S., "Chemical and Electrochemical O₂ Reduction on Earth-Abundant M-N-C Catalysts and Implications for Mediated Electrolysis." J. Am. Chem. Soc. 2022, 144, 922-927. DOI: 10.1021/jacs.1c11126.

Gunasekara, T.; Tong, Y.; Speelman, A. L.; Erickson, J. D.; Appel, A. M.; Hall, M. B.; Wiedner, E. S., "Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex." ACS Catal. 2022, 2729-2740. DOI: 10.1021/acscatal.1c05509.

Warburton, R. E.; Soudackov, A. V.; Hammes-Schiffer, S., "Theoretical Modeling of Electrochemical Proton-Coupled Electron Transfer." Chem. Rev. 2022, DOI: 10.1021/acs.chemrev.1c00929 (invited article for a thematic issue on Computational Electrochemistry).

Wiedner, E. S.; Appel, A. M.; Raugei, S.; Shaw, W. J.; Bullock, R. M., Molecular Catalysts with Diphosphine Ligands Containing Pendant Amines. Chem. Rev. 2022, accepted for publication (invited article for a thematic issue of Chemical Reviews on “Catalysis Beyond the First Coordination Sphere,” guest edditors are R. Morris Bullock and Abhishek Dey.)

Tao, Z.; Pearce, A.; Mayer, J.; Wang, H., "Bridge Sites of Au Surfaces Are Active for Electrocatalytic CO₂ Reduction." J. Am. Chem. Soc. 2022, DOI: 10.1021/jacs.2c01098.

2021 Publications

Brezny, A. C.; Nedzbala, H. S.; Mayer, J. M., "Multiple selectivity-determining mechanisms of H2O2 formation in iron porphyrin-catalysed oxygen reduction." Chem. Commun. 2021, 57, 1202-1205. DOI: 10.1039/D0CC06701F.

DuBois, D. L.; Wiedner, E. S.; Bullock, R. M., "Coordination Chemistry of Phosphine Ligands With Pendant Amines." Comprehensive Coordination Chemistry III. 2021; pp 90-130. DOI: 10.1016/B978-0-08-102688-5.00079-9.

Heins, S. P.; Schneider, P. E.; Speelman, A. L.; Hammes-Schiffer, S.; Appel, A. M., "Electrocatalytic Oxidation of Alcohol with Cobalt Triphosphine Complexes." ACS Catal. 2021, 11, 6384-6389. DOI: 10.1021/acscatal.1c00781.

Kuo, D.-Y.; Cossairt, B. M., "Direct intercalation of MoS2 and WS2 thin films by vacuum filtration." Materials Horizons 2021, 9, 360-367. DOI: 10.1039/D1MH01193F.

Martin, D. J.; Mayer, J. M., "Oriented Electrostatic Effects on O2 and CO2 Reduction by a Polycationic Iron Porphyrin." J. Am. Chem. Soc. 2021, 143, 11423-11434. DOI: 10.1021/jacs.1c03132.

Martin, D. J.; Mercado, B. Q.; Mayer, J. M., "All Four Atropisomers of Iron Tetra(o-N,N,N-trimethylanilinium)porphyrin in Both the Ferric and Ferrous States." Inorg. Chem. 2021, 60, 5240-5251. DOI: 10.1021/acs.inorgchem.1c00236.

Murphy, I. A.; Rice, P. S.; Monahan, M.; Zasada, L. P.; Miller, E. M.; Raugei, S.; Cossairt, B. M., "Covalent Functionalization of Nickel Phosphide Nanocrystals with Aryl-Diazonium Salts." Chem. Mater. 2021, 33, 9652–9665. DOI: 10.1021/acs.chemmater.1c03255.

Nhon, L.; Shan, B.; Taggart, A. D.; Wolfe, R. M. W.; Li, T.-T.; Klug, C. M.; Nayak, A.; Bullock, R. M.; Cahoon, J. F.; Meyer, T. J.; Schanze, K. S.; Reynolds, J. R., Influence of Surface and Structural Variations in Donor–Acceptor–Donor Sensitizers on Photoelectrocatalytic Water Splitting. ACS Appl. Mater. Interfaces 2021, 13, 47499-47510. DOI: 10.1021/acsami.1c11879.

Nutting, J. E.; Gerken, J. B.; Stamoulis, A. G.; Bruns, D. L.; Stahl, S. S., “How Should I Think about Voltage? What Is Overpotential?”: Establishing an Organic Chemistry Intuition for Electrochemistry. J. Org. Chem. 2021, 86, 15875-15885. DOI: 10.1021/acs.joc.1c01520.

Odella, E.; Secor, M.; Elliot, M.; Groy, T. L.; Moore, T. A.; Hammes-Schiffer, S.; and Moore, A. L., “Multi PCET in symmetrically substituted benzimidazoles,” Chem. Sci. 2021, 12, 12667-12675. DOE: 10.1039/D1SC03782J.

Peper, J. L.; Gentry, N. E.; Brezny, A. C.; Field, M. J.; Green, M. T.; Mayer, J. M., "Different Kinetic Reactivities of Electrons in Distinct TiO₂ Nanoparticle Trap States." J. Phys. Chem. C 2021, 125, 680-690. DOI: 10.1021/acs.jpcc.0c10633.

Secor, M.; Soudackov, A. V.; Hammes-Schiffer, S., "Artificial Neural Networks as Mappings between Proton Potentials, Wave Functions, Densities, and Energy Levels." J. Phys. Chem. Lett. 2021, 12, 2206-2212. DOI: 10.1021/acs.jpclett.1c00229.

Sun, D.; Karippara Harshan, A.; Pécaut, J.; Hammes-Schiffer, S.; Costentin, C.; Artero, V., "Hydrogen Evolution Mediated by Cobalt Diimine-Dioxime Complexes: Insights into the Role of the Ligand Acid/Base Functionalities." Chem. Electro. Chem. 2021, 8, 2671-2679. DOI: 10.1002/celc.202100413.

Wang, F.; Li, W.; Wang, R.; Guo, T.; Sheng, H.; Fu, H.-C.; Stahl, S. S.; Jin, S., "Modular Electrochemical Synthesis Using a Redox Reservoir Paired with Independent Half-Reactions." Joule 2021, 5, 149-165. DOI: 10.1016/j.joule.2020.11.011

Wang, F.; Sheng, H.; Li, W.; Gerken, J. B.; Jin, S.; Stahl, S. S., "Stable Tetrasubstituted Quinone Redox Reservoir for Enhancing Decoupled Hydrogen and Oxygen Evolution." ACS Energy Lett. 2021, 6, 1533-1539. DOI: 10.1021/acsenergylett.1c00236.

Wang, Z.; Johnson, S. I.; Wu, G.; Ménard, G., "Multiple N–H and C–H Hydrogen Atom Abstractions Through Coordination-Induced Bond Weakening at Fe-Amine Complexes." Inorg. Chem. 2021, 60, 8242-8251. DOI: 10.1021/acs.inorgchem.1c00923.

Warburton, R. E.; Mayer, J. M.; Hammes-Schiffer, S., "Proton-Coupled Defects Impact O–H Bond Dissociation Free Energies on Metal Oxide Surfaces." J. Phys. Chem. Lett. 2021, 9761-9767. DOI: 10.1021/acs.jpclett.1c02837.

2020 Publications

Anson, C.W. and S.S. Stahl. "Mediated Fuel Cells: Soluble Redox Mediators and Their Applications to Electrochemical Reduction of O₂ and Oxidation of H₂, Alcohols, Biomass, and Complex Fuels." Chemical Reviews 2020,120:3749-3786. DOI:10.1021/acs.chemrev.9b00717

Artz, J.H., O.A. Zadvornyy, D.W. Mulder, S.M. Keable, A.E. Cohen, M.W. Ratzloff, G. Williams, B. Ginovska, N. Kumar, J. Song, S.E. McPhillips, C. Davidson, A.Y. Lyubimov, N. Pence, G.J. Schut, A.K. Jones, M. Soltis, M. Adams, S. Raugei, P.W. King, amd J.W. Peters. "Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases." J. Am. Chem. Soc. 2020, 142:1227-1235. DOI:10.1021/jacs.9b08756

Brezny, A.C., S.I. Johnson, S. Raugei, and J.M. Mayer. "Selectivity-Determining Steps in O₂ Reduction Catalyzed by Iron(tetramesitylporphyrin)." J. Am. Chem. Soc. 2020, 142:1408-4113. DOI:10.1021/jacs.9b13654

Bullock, R. M.; Chen, J. G.; Gagliardi, L.; Chirik, P. J.; Farha, O. K.; Hendon, C. H.; Jones, C. W.; Keith, J. A.; Klosin, J.; Minteer, S. D.; Morris, R. H.; Radosevich, A. T.; Rauchfuss, T. B.; Strotman, N. A.; Vojvodic, A.; Ward, T. R.; Yang, J. Y.; Surendranath, Y., "Using nature’s blueprint to expand catalysis with Earth-abundant metals." Science 2020, 369. DOI: 10.1126/science.abc3183.

Dunn, P. L.; Cook, B. J.; Johnson, S. I.; Appel, A. M.; Bullock, R. M., "Oxidation of Ammonia with Molecular Complexes." J. Am. Chem. Soc. 2020, 142, 17845-17858. DOI: 10.1021/jacs.0c08269.

Dunn, P.L., S.I. Johnson, W. Kaminsky, and R.M. Bullock., "Diversion of Catalytic C–N Bond Formation to Catalytic Oxidation of NH₃ through Modification of the Hydrogen Atom Abstractor." J. Am. Chem. Soc. 2020, 142:3361-3365. DOI:10.1021/jacs.9b13706

Fantuzzi, F.; Nascimento, M. A. C.; Ginovska, B.; Bullock, R. M.; Raugei, S., "Splitting of multiple hydrogen molecules by bioinspired diniobium metal complexes: a DFT study." Dalton Trans. 2020, 840-849. DOI: 10.1039/D0DT03411H.

Gerken, J.B., A. Stamoulis, S. Suh, N.D. Fischer, Y.J. Kim, I.A. Guzei, and S.S. Stahl. "Efficient Electrochemical Synthesis of Robust, Densely Functionalized Water Soluble Quinones." Chemical Communications 2020, 56:1199-1202. DOI:10.1039/C9CC08878D

Gerken, J.B., C.W. Anson, Y. Preger, P.G. Symons, D. Genders, Y. Qiu, W. Li, T.W. Root, and S.S. Stahl. "Comparison of Quinone-Based Catholytes for Aqueous Redox Flow Batteries and Demonstration of Long-Term Stability with Tetrasubstituted Quinones." Advanced Energy Materials 2020, 10:2000340. DOI:10.1002/aenm.202000340

Guerra, W. D.; Odella, E.; Secor, M.; Goings, J. J.; Urrutia, M. N.; Wadsworth, B. L.; Gervaldo, M.; Sereno, L. E.; Moore, T. A.; Moore, G. F.; Hammes-Schiffer, S.; Moore, A. L., "Role of Intact Hydrogen-Bond Networks in Multiproton-Coupled Electron Transfer." J. Am. Chem. Soc. 2020, 142, 21842-21851. DOI: 10.1021/jacs.0c10474.

Kim, R. S.; Nazemi, A.; Cundari, T. R.; Surendranath, Y., "A Pd^III Sulfate Dimer Initiates Rapid Methane Monofunctionalization by H Atom Abstraction." ACS Catal. 2020, 10, 14782-14792. DOI: 10.1021/acscatal.0c03844. 

Kim, R. S.; Wegener, E. C.; Yang, M. C.; O’Reilly, M. E.; Oh, S.; Hendon, C. H.; Miller, J. T.; Surendranath, Y., "Rapid Electrochemical Methane Functionalization Involves Pd–Pd Bonded Intermediates." J. Am. Chem. Soc. 2020, 142, 20631-20639. DOI: 10.1021/jacs.0c05894.

Marshall-Roth, T.; Libretto, N. J.; Wrobel, A. T.; Anderton, K. J.; Pegis, M. L.; Ricke, N. D.; Voorhis, T. V.; Miller, J. T.; Surendranath, Y., "A pyridinic Fe-N₄ macrocycle models the active sites in Fe/N-doped carbon electrocatalysts." Nat. Commun. 2020, 11, 5283. DOI: 10.1038/s41467-020-18969-6.

Martin, D. J.; Johnson, S. I.; Mercado, B. Q.; Raugei, S.; Mayer, J. M., "Intramolecular Electrostatic Effects on O₂, CO₂, and Acetate Binding to a Cationic Iron Porphyrin." Inorg. Chem. 2020, 59, 17402-17414. DOI: 10.1021/acs.inorgchem.0c02703.

Martin, D.J.; B.Q. Mercado, and J.M. Mayer. "Combining Scaling Relationships Overcomes Rate Versus Overpotential Trade-offs in O₂ Molecular Electrocatalysis." Science Advances 2020, 6:eaaz3318. DOI:10.1126/sciadv.aaz3318

Martin, D.J., C.F. Wise, M.L. Pegis, and J.M Mayer. "Developing Scaling Relationships for Molecular Electrocatalysis through Studies of Fe-Porphyrin-Catalyzed O₂ Reduction." Accounts of Chemical Research 2020, 53:1056-1065. DOI:10.1021/acs.accounts.0c00044

Odella, E.; Mora, S. J.; Wadsworth, B. L.; Goings, J. J.; Gervaldo, M. A.; Sereno, L. E.; Groy, T. L.; Gust, D.; Moore, T. A.; Moore, G. F.; Hammes-Schiffer, S.; Moore, A. L., "Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires." Chem. Sci. 2020, 11, 3820-3828. DOI: 10.1039/C9SC06010C.

Preger, Y., M.R. Johnson, S. Biswas, C.W. Anson, T.W. Root, and S.S. Stahl. "Anthraquinone-Mediated Fuel Cell Anode with an Off-Electrode Heterogeneous Catalyst Accessing High Power Density When Paired with a Mediated Cathode." ACS Energy Lett. 2020, 5:1407-1412. DOI:10.1021/acsenergylett.0c00631

Tran, B.L., B.D. Neisen, A.L. Speelman, T. Gunasekara, E.S. Wiedner, and R.M. Bullock. "Mechanistic Studies on the Insertion of Carbonyl Substrates into Cu-H: Different Rate-Limiting Steps as a Function of Electrophilicity." Angewandte Chemie International Edition 2020, 59:8645-8653. DOI:10.1002/anie.201916406

Ung, D., I.A. Murphy, and B.M. Cossairt. "Designing Nanoparticle Interfaces for Inner-Sphere Catalysis." Dalton Transactions 2020, 49:4995-5005. DOI:10.1039/D0DT00785D

Wang, Y.-H.; Mondal, B.; Stahl, S. S., "Molecular Cobalt Catalysts for O₂ Reduction to H₂O₂: Benchmarking Catalyst Performance via Rate–Overpotential Correlations." ACS Catal. 2020, 10, 12031-12039. DOI: 10.1021/acscatal.0c02197.

Wang, F. and Stahl, S.S., "Electrochemical Oxidation of Organic Molecules at Lower Overpotential: Accessing Broader Functional Group Compatibility with Electron-Proton Transfer Mediators." Acc. Chem. Res. 2020, 53:561-574. DOI:10.1021/acs.accounts.9b00544

Wise, C. F.; Agarwal, R. G.; Mayer, J. M., "Determining Proton-Coupled Standard Potentials and X–H Bond Dissociation Free Energies in Nonaqueous Solvents Using Open-Circuit Potential Measurements." J. Am. Chem. Soc. 2020, 142, 10681-10691. DOI: 10.1021/jacs.0c01032.

2019 Publications

Anson, C.W. and S.S. Stahl. "Processes for Electrochemical Production of Electrolyte-Free Hydrogen Peroxide." Joule 2019, 3:2889-2891. DOI: 10.1016/j.joule.2019.11.017

Bhattacharya, P., Z.M. Heiden, G.M. Chambers, S.I. Johnson, R.M. Bullock, M. T. Mock. "Catalytic Ammonia Oxidation to Dinitrogen by Hydrogen Atom Abstraction." Angew.Chem. Int. Ed. 2019​​​​, 58:11618-11624. DOI:10.1002/anie.201903221

Chambers, G. M.. S.I. Johnson, S. Raugei, R.M. Bullock. "Anion control of tautomeric equilibria: Fe–H vs. N–H influenced by NH•••F hydrogen bonding." Chem. Sci. 2019, 10:1410-1418. DOI:10.1039/c8sc04239j

Cook, B.J., S.I. Johnson, G.M. Chambers, W. Kaminsky, and R.M. Bullock. "Triple Hydrogen Atom Abstraction from Mn–NH₃ Complexes Results in Cyclophosphazenium Cations." Chemical Communications 2019, 55:14058-14061. DOI:10.1039/C9CC06915A

Delley, M.F., Z. Wu, M.E. Mundy, D Ung, B.M. Cossairt, H. Wang, J.M. Mayer. "Hydrogen on Cobalt Phosphide." J. Am. Chem. Soc. 2019, 141:15390−15402. DOI:10.1021/jacs.9b07986

Fourmond, V., E.S. Wiedner, W.J. Shaw, and C. Léger. "Understanding and Design of Bidirectional and Reversible Catalysts of Multielectron, Multistep Reactions." J. Am. Chem. Soc. 2019,​​​​​​​ 141:11269-11285. DOI:10.1021/jacs.9b04854

Johnson, S.I., S.P. Heins, C.M. Klug, E.W. Wiedner, R.M. Bullock, S. Raugei. "Design and reactivity of pentapyridyl metal complexes for ammonia oxidation." Chem. Commun. 2019​​​​​​​,​​​​​​​ 55:5083-5086. DOI:10.1039/C9CC01249D

Klug,C. M., W.G. Dougherty, W.S. Kassel, E.S. Wiedner. "ElectrocatalyticHydrogen Production by a Nickel Complex Containing a Tetradentate PhosphineLigand." Organometallics 2019​​​​​​​,​​​​​​​ 38:1269-1279. DOI:10.1021/acs.organomet.8b00548

Kumar, N., J.M. Darmon, C.J. Weiss, M.L. Helm, S. Raugei, R.M. Bullock. "Outer Coordination Sphere Proton Relay Base and Proximity Effects on Hydrogen Oxidation with Iron Electrocatalysts." Organometallics 2019​​​​​​​,​​​​​​​ 38:1391-1396. DOI:10.1021/acs.organomet.8b00805

Laureanti, J.A., M. O'Hagan, W.J. Shaw. "Chicken Fat for Catalysis: a Scaffold is as Important for Molecular Complexes for Energy Transformations as it is for Enzymes in Catalytic Function." Sustainable Energy & Fuels 2019​​​​​​​,​​​​​​​ 3:3260-3278. DOI:10.1039/C9SE00229D

Liao, Q., T. Liu, S.I. Johnson, C.M. Klug, E.S. Wiedner, R.M. Bullock, D.L. DuBois. "Evaluation of attractive interactions in the secondcoordination sphere of iron complexes containing pendant amines." Dalton Trans. 2019​​​​​​​,​​​​​​​ 48:4867-4878. DOI:10.1039/C9DT00708C

Martin, D.J., B.Q. Mercado, and J.M. Mayer. "Synthesis and Prior Misidentification of 4-tert-Butyl-2,6-dinitrobenzaldehyde." J. Org. Chem. 2019​​​​​​​,​​​​​​​ 84:12172-12176. DOI:10.1021/acs.joc.9b01737

Murray, A.T., S. Voskian, M. Schreier, A. Hatton, Y. Surendranath. "Electrosynthesis of Hydrogen Peroxide by Phase-Transfer Catalysis". Joule 2019​​​​​​​,​​​​​​​ 3:2942–2954. DOI:10.1016/j.joule.2019.09.019

Odella, E., B.L. Wadsworth, S.J. Mora, J.J. Goings, M.T. Huynh, D. Gust, T.A. Moore, G.F. Moore, S. Hammes-Schiffer, A.L. Moore. " Proton-Coupled Electron Transfer Drives Long-Range Proton Translocation in Bioinspired Systems" J. Am.Chem. Soc. 2019​​​​​​​,​​​​​​​ 141:14057-14061. DOI:10.1021/jacs.9b06978

Pegis, M.L., D.J. Martin, C.F. Wise, A.C. Brezny, S.I. Johnson, L.E. Johnson, N. Kumar, S. Raugei, J.M. Mayer. "Mechanism of Catalytic O₂Reduction by Iron Tetraphenylporphyrin." J. Am. Chem. Soc. 2019​​​​​​​,​​​​​​​ 141:8315-8326. DOI:10.1021/jacs.9b02640

Prokopchuk, D.E., G.M. Chambers, E.D. Walter, M.T. Mock, R.M. Bullock. "H₂Binding, Splitting, and Net Hydrogen Atom Transfer at a Paramagnetic Iron Complex" J. Am. Chem. Soc. 2019​​​​​​​,​​​​​​​ 141:1871-1876. DOI:10.1021/jacs.8b12823

Shan, B., M.K. Brennaman, L. Troian-Gautier, Y. Liu, A. Nayak, C.M. Klug, T.-T. Li, R.M. Bullock, T.J. Meyer. "A Silicon-Based Heterojunction Integrated with a Molecular Excited State in a Water-Splitting Tandem Cell." J. Am. Chem. Soc. 2019​​​​​​​,​​​​​​​ 141:10390-10398. DOI:10.1021/jacs.9b04238

Ung, D., B.M. Cossairt. "Effect of Surface Ligands on CoP for the Hydrogen Evolution Reaction." ACS Applied Energy Materials 2019​​​​​​​,​​​​​​​ 2:1642-1645. DOI:10.1021/acsaem.9b00240

Walsh, A.P., J.A. Laureanti, S. Katipamula, G.M. Chambers, N. Priyadarshani, S. Lense, J.T. Bays, J.C. Linehan, W.J. Shaw. "Evaluating the impacts of amino acids in the second and outer coordination spheres of Rh-bis(diphosphine) complexes for CO₂ hydrogenation." Faraday Discuss. 2019​​​​​​​,​​​​​​​ 215:123-140. DOI:10.1039/C8FD00164B

Wang, Y.-H., P.E. Schneider, Z.K. Goldsmith, B. Mondal, S. Hammes-Schiffer, S.S. Stahl. "Brønsted Acid Scaling Relationships Enable Control Over Product Selectivity from O₂ Reduction with a Mononuclear Cobalt Porphyrin Catalyst." ACS Cent. Sci. 2019​​​​​​​,​​​​​​​ 5:1024-1034. DOI:10.1021/acscentsci.9b00194

Wiedner, E.S. "Thermodynamic Hydricity of [FeFe]-Hydrogenases." J. Am. Chem. Soc. 2019​​​​​​​,​​​​​​​ 141:7212-7222. DOI:10.1021/jacs.8b13084

Wise, C.F., J.M. Mayer. "Electrochemically Determined O–H Bond Dissociation Free Energies of NiO Electrodes Predict Proton-Coupled Electron Transfer Reactivity." J. Am. Chem. Soc., 2019​​​​​​​,​​​​​​​ 141:14971-14975. DOI:10.1021/jacs.9b07923

2018 Publications

Bhunia S., A. Rana, P. Roy, D. Martin, M.L. Pegis, B. Roy, and A. Dey. 2018. "Rational Design of Mononuclear Iron Porphyrins for Facile and Selective 4e^-/4H⁺ O₂ Reduction: Activation of O-O Bond by 2nd Sphere Hydrogen Bonding." Journal of the American Chemical Society, 140:9444-9457. doi:10.1021/jacs.8b02983

Chambers, G.M., E.S. Wiedner, R.M. Bullock. 2018. "H₂ Oxidation Electrocatalysis Enabled by Metal-to-Metal Hydrogen Atom Transfer: A Homolytic Approach to a Heterolytic Reaction." Angewandte Chemie International Edition 57, 13523-13527. DOI:10.1002/anie.201807510

Dutta A., A.M. Appel, and W.J. Shaw. 2018. "Designing electrochemically reversible H₂ oxidation/production catalysts." Nature Reviews Chemistry. 2, 244-252. DOI:10.1038/s41570-018-0032-8

Gerken J.B., Y. Pang, M.B. Lauber, and S.S. Stahl. 2018. "Structural Effects on the pH-Dependent Redox Properties of Organic Nitroxyls: Pourbaix Diagrams for TEMPO, ABNO and Three TEMPO Analogs." Journal of Organic Chemistry 83, 7323-7330. DOI:10.1021/acs.joc.7b02547.

Hammes-Schiffer, S. 2018. "Controlling Electrons and Protons through Theory: Molecular Electrocatalysts toNanoparticles." Acc. Chem. Res., 51:1975-1983. DOI: 10.1021/acs.accounts.8b00240

Kendall A.J., S. Johnson, R.M. Bullock, and M.T. Mock. 2018. "Catalytic Silylation of N₂ and Synthesis of NH₃ and N₂H₄ by Net Hydrogen Atom Transfer Reactions using a Chromium P₄ Macrocycle." Journal of the American Chemical Society 140(7):2528-2538. DOI:10.1021/jacs.7b11132

Klug C., A.P. Cardenas, R.M. Bullock, M.J. O'Hagan, and E.S. Wiedner. 2018. "Reversing the Tradeoff between Rate and Overpotential in Molecular Electrocatalysts for H₂ Production." ACS Catalysis 8:3286-3296. doi:10.1021/acscatal.7b04379

Mora S., M.T. Huynh, P.A. Liddell, D. Gust, T.A. Moore, S. Hammes-Schiffer, and A.L. Moore. 2018. "Controlling Proton-Coupled Electron Transfer in Bio-Inspired Artificial Photosynthetic Relays." Journal of the American Chemical Society 140(46):15450-15460. DOI:10.1021/jacs.8b09724

Nutting J., M. Rafiee, and S.S. Stahl. 2018. "Tetramethylpiperidine N-Oxyl (TEMPO), Phthalimide N-Oxyl (PINO), and Related N-Oxyl Species: Electrochemical Properties and Their Use in Electrocatalytic Reactions." Chemical Reviews, 118:4834-4885. doi:10.1021/acs.chemrev.7b00763

Odella, E., S.J. Mora, B.L. Wadsworth, M.T. Huynh, J.J. Goings, P.A. Liddell, T.L. Groy, M.Gervaldo, L.E. Sereno, D. Gust, T.A. Moore, G.F. Moore, S. Hammes-Schiffer, A.L.Moore. 2018. "ControllingProton-Coupled Electron Transfer in Bioinspired Artificial PhotosyntheticRelays." J. Am. Chem. Soc., 140:15450-15460. DOI:10.1021/jacs.8b09724

Pegis M.L., C.F. Wise, D.J. Martin, and J.M. Mayer. 2018. "Oxygen Reduction by Homogeneous Molecular Catalysts and Electrocatalysts." Chemical Reviews, 118:2340-2391. doi:10.1021/acs.chemrev.7b00542

Preger, Y., J.B. Gerken, S. Biswas, C.W. Anson, M.R. Johnson, T.W. Root, S.S. Stahl. 2018. "Quinone-Mediated Electrochemical O₂ Reduction Accessing High Power Density with an Off-Electrode Co-N/C Catalyst." Joule, 2:2722-2731. DOI:10.1016/j.joule.2018.09.010

Sayfutyarova, E.R., Z.K. Goldsmith, S. Hammes-Schiffer. 2018. "Theoretical Study of C–HBond Cleavage via Concerted Proton-Coupled Electron Transfer in Fluorenyl-Benzoates." J. Am.Chem. Soc., 140:15641-15645.DOI:10.1021/jacs.8b10461

Wang Y., Z. Goldsmith, P. Schneider, C.W. Anson, J.B. Gerken, S. Ghosh, and S. Hammes-Schiffer, et al. 2018. "Kinetic and Mechanistic Characterization of Low-Overpotential, H2O2-Selective Reduction of O2 Catalyzed by N2O2-Ligated Cobalt Complexes." Journal of the American Chemical Society 140:10890-10899. DOI:10.1021/jacs.8b06394.

2017 Publications

Anson C.W., and S.S. Stahl. 2017. "Cooperative Electrocatalytic O2 Reduction Involving Co(salophen) with p-Hydroquinone as an Electron-Proton Transfer Mediator." Journal of the American Chemical Society 139, no. 51:18472-18475. doi:10.1021/jacs.7b11362

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. DOI:10.1021/jacs.7b00002

Bullock RM and GM Chambers. 2017. "Frustration Across the Periodic Table: Heterolytic Cleavage of Dihydrogen by Metal Complexes." Philosophical Transactions of the Royal Society A. 375, no. 2101:Article No. 20170002. DOI:10.1098/rsta.2017.0002  (invited for special issue)

Bullock RM, AK Das, and AM Appel. 2017. "Surface Immobilization of Molecular Electrocatalysts for Energy Conversions." Chemistry - A European Journal 23, no. 32:7626-7641. DOI: 10.1002/chem.201605066 (invited review)

Bullock RM. 2017. "Reaction: Earth-Abundant Metal Catalysts for Energy Conversions." Chem  2:444-446. DOI: 10.1016/j.chempr.2017.03.019  (invited commentary)

Hammes-Schiffer S. 2017. "Catalysts by Design: The Power of Theory." Accounts of Chemical Research  50:561-566. DOI: 10.1021/acs.accounts.6b00555

Huynh M.T., S. Mora, M. Villalba, M.E. Tejeda-Ferrari, P.A. Liddell, B.R. Cherry, and A. Teillout, et al. 2017. "Concerted One-Electron Two-Proton Transfer Processes in Models Inspired by the Tyr-His Couple of Photosystem II." ACS Central Science 3:372-380. DOI: 10.1021/acscentsci.7b00125

Jeletic M.S., E. Hulley, M.L. Helm, M.T. Mock, A.M. Appel, E.S. Wiedner, and J.C. Linehan. 2017. "Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis." ACS Catalysis 7, no. 9:6008-6017. doi:10.1021/acscatal.7b01673

Klug C., M.J. O'Hagan, R.M. Bullock, A.M. Appel, and E.S. Wiedner. 2017. "Impact of Weak Agostic Interactions in Nickel Electrocatalysts for Hydrogen Oxidation." Organometallics 36,no. 12:2275-2284. DOI: 10.1021/acs.organomet.7b00103

Pegis ML, CF Wise, B Koronkiewicz, and JM Mayer. 2017. "Identifying and Breaking Scaling Relations in Molecular Catalysis of Electrochemical Reactions." Journal of the American Chemical Society. 139:11000-11003. DOI: 10.1021/jacs.7b05642

Prokopchuk DE, ES Wiedner, ED Walter, CV Popescu, NA Piro, WS Kassel, and R.M. Bullock, et al. 2017. "Catalytic N₂ Reduction to Silylamines and Thermodynamics of N₂ Binding at Square Planar Fe." Journal of the American Chemical Society 139, no. 27:9291-9301. DOI: 10.1021/jacs.7b04552

Shan B, BD Sherman, CM Klug, A Nayak, SL Marquard, Q Liu, RM Bullock, and TJ Meyer. 2017. "Modulating Hole Transport in Multilayered Photocathodes with Derivatized p-Type Nickel Oxide and Molecular Assemblies for Solar-Driven Water Splitting." The Journal of Physical Chemistry Letters 8, no. 18:4374-4379. DOI: 10.1021/acs.jpclett.7b01911

Wang D, MV Sheridan, B Shan, BH Farnum, SL Marquard, BD Sherman, MS Eberhart, A Nayak, CJ Dares, AK Das, RM Bullock, and TJ Meyer. 2017. "Layer-by-Layer Molecular Assemblies for Dye-Sensitized Photoelectrosynthesis Cells Prepared by Atomic Layer Deposition." Journal of the American Chemical Society 139, no. 41:14518-1452. DOI: 10.1021/jacs.7b07216

Wang Y., M.L. Pegis, J.M. Mayer, and S.S. Stahl. 2017. "Molecular Cobalt Catalysts for O2 Reduction: Low-Overpotential Production of H2O2 and Comparison with Iron-Based Catalysts." Journal of the American Chemical Society 139, no. 46:16458-16461. doi:10.1021/jacs.7b09089

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

2016 Publications

Anson CW, S Ghosh, S Hammes-Schiffer, and SS Stahl. 2016. "Co(Salophen)-Catalyzed Aerobic Oxidation of p-Hydroquinone: Mechanism and Implications for Aerobic Oxidation Catalysis." Journal of the American Chemical Society 138:4186-4193. DOI: 10.1021/jacs.6b00254

Cardenas AJP, B Ginovska, N Kumar, J Hou, S Raugei, ML Helm, AM Appel, RM Bullock, and M O'Hagan. 2016. "Controlling Proton Delivery through Catalyst Structural Dynamics." Angewandte Chemie International Edition 55:13509-13513. DOI: 10.1002/anie.201607460

Cardenas AJP, and M O'Hagan. 2016. "Solid State Structure of Dimethylformamidium Bis(Trifluoromethanesulfonyl)­ Amide: An Ionic Liquid." Acta Crystallographica Section E E72:1290-1292. DOI: 10.1107/S2056989016012251

Dutta A, B Ginovska, S Raugei, JAS Roberts, and WJ Shaw. 2016. "Optimizing Conditions for Utilization of an H₂ Oxidation Catalyst with Outer Coordination Sphere Functionalities." Dalton Transactions 45:9786-9793. DOI: 10.1039/C6DT00280C

Egbert JD, J O'Hagan, ES Wiedner, RM Bullock, NA Piro, WS Kassel, and MT Mock. 2016. "Putting Chromium on the Map for N₂ Reduction: Production of Hydrazine and Ammonia. A Study of cis-M(N₂)₂ (M = Cr, Mo, W) bis(diphosphine) Complexes." Chemical Communications 52:9343-9346. DOI: 10.1039/C6CC03449G

Egbert JD, LA Labios, JM Darmon, NA Piron, WS Kassel, and MT Mock. 2016. "Synthesis and Structure of Vanadium Halide Complexes Containing Diphosphine Ligands with Pendant Amines." European Journal of Inorganic Chemistry 2016:1293-1299. DOI: 10.1002/ejic.201501477

Ghosh S, AV Soudackov, and S Hammes-Schiffer. 2016. "Electrochemical Electron Transfer and Proton-Coupled Electron Transfer: Effects of Double Layer and Ionic Environment on Solvent Reorganization Energies." Journal of Chemical Theory and Computation 12:2917-2925. DOI: 10.1021/acs.jctc.6b00233

Huynh MT, CW Anson, AC Cavell, SS Stahl, and S Hammes-Schiffer. 2016. "Quinone 1 e^- and 2 e^-/2 H⁺ Reduction Potentials: Identification and Analysis of Deviations from Systematic Scaling Relationships." Journal of the American Chemical Society 138(49):15903-15910. DOI: 10.1021/jacs.6b05797

Lindley BM, AM Appel, K Krogh-Jespersen, JM Mayer, and AJM Miller. 2016.  "Evaluating the Thermodynamics of Electrocatalytic N₂ Reduction in Acetonitrile." ACS Energy Letters 1(4):698-704. DOI: 10.1021/acsenergylett.6b00319

Liu F, BA Parkinson, R Divan, J Roberts, and Y Liang. 2016. "Quantitative Analysis of Homogeneous Electrocatalytic Reactions at IDA Electrodes: The Example of [Ni(P^Ph₂N^Bn₂)₂]²⁺." Electrochimica Acta 2016:323-330. DOI: 10.1016/j.electacta.2016.10.176

Pegis ML, BA McKeown, N Kumar, K Lang, DJ Wasylenko, XP Zhang, S Raugei, and JM Mayer. 2016. "Homogenous Electrocatalytic Oxygen Reduction Rates Correlate with Reaction Overpotential in Acidic Organic Solutions." ACS Central Science 2: 850-856. DOI: 10.1021/acscentsci.6b00261

Pegis ML, JAS Roberts, DJ Wasylenko, EA Mader, AM Appel, and JM Mayer. 2016. "Standard Reduction Potentials for Oxygen and Carbon Dioxide Couples in Acetonitrile and N,N-Dimethylformamide." Inorganic Chemistry 54:11883-11888. DOI: 10.1021/acs.inorgchem.5b02136

Priyadarshani N, A Dutta, B Ginovska, GW Buchko, M O'Hagan, S Raugei, and WJ Shaw. "Achieving Reversible H₂/H⁺ Interconversion at Room Temperature with Enzyme-Inspired Molecular Complexes: A Mechanistic Study." ACS Catalysis. DOI: 10.1021/acscatal.6b01433

Raugei S, ML Helm, S Hammes-Schiffer, AM Appel, M O'Hagan, ES Wiedner, and  RM Bullock. 2016. "Experimental and Computational Mechanistic Studies Guiding the Rational Design of Molecular Electrocatalysts for the Production and Oxidation of Hydrogen." Inorganic Chemistry 55(2):445-460. DOI: 10.1021/acs.inorgchem.5b02262

Reback ML, B Ginovska, GW Buchko, A Dutta, N Priyadarshani, BL Kier, ML Helm, S Raugei, and WJ Shaw. 2016. "Investigating the Role of Chain and Linker Length on the Catalytic Activity of an H₂ Production Catalyst Containing a β-hairpin Peptide."Journal of Coordination Chemistry. DOI: 10.1080/00958972.2016.1188924

Shan B, AK Das, S Marquard, BH Farnum, D Wang, RM Bullock, and TJ Meyer. 2016. "Photogeneration of Hydrogen from Water by a Robust Dye-Sensitized Photocathode." Energy & Environmental Science 9:3693-3697. DOI: 10.1039/C6EE02903E

Stolley RM, JM Darmon, P Das, and ML Helm.2016. "Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H₂," Organometallics 35:2965-2974. DOI: 10.1021/acs.organomet.6b00486

Wiedner ES, HJS Brown, and ML Helm. 2016. "Kinetic Analysis of Competitive Electrocatalytic Pathways: New Insights into Hydrogen Production with Nickel Electrocatalysts." Journal of the American Chemical Society 138(2):604-616. DOI: 10.1021/jacs.5b10853

Wiedner ES and RM Bullock. 2016. "Electrochemical Detection of Transient Cobalt Hydride Intermediates of Electrocatalytic Hydrogen Production." Journal of the American Chemical Society 138:8309-8318. DOI: 10.1021/jacs.6b04779
Research Highlight: The Case of the Cobalt Catalyst

Wiedner ES, MB Chambers, CL Pitman, RM Bullock, AJM Miller, and AM Appel. 2016. "Thermodynamic Hydricity of Transition Metal Hydrides." Chemical Reviews 116(15):8655-8692. DOI: 10.1021/acs.chemrev
 

2015 Publications

Bullock RM and ML Helm. 2015. "Molecular Electrocatalysts for Oxidation of Hydrogen Using Earth-Abundant Metals: Shoving Protons Around with Proton Relays." Accounts of Chemical Research 48(7):2017-2026. DOI: 10.1021/acs.accounts.5b00069

Bullock RM, A Das, MH Engelhard, S Lense, and JAS Roberts. 2015. "Covalent Attachment of Diphosphine Ligands to Glassy Carbon Electrodes via Cu-Catalyzed Alkyne-Azide Cycloaddition. Metallation with Ni(II)." Dalton Transactions. DOI: 10.1039/C5DT00162E

Darmon JM, N Kumar, EB Hulley, CJ Weiss, S Raugei, RM Bullock, and ML Helm. 2015. "Increasing the Rate of Hydrogen Oxidation Without Increasing the Overpotential: a Bio-Inspired Iron Molecular Electrocatalyst with an Outer Coordination Sphere Proton Relay." Chemical Science 6:2737-2745. DOI: 10.1039/C5SC00398A

Das AK, MH Engelhard, S Lense, JAS Roberts, RM Bullock. "Covalent Attachement of Diphosphine Ligands to Glassy Carbon Electrodes via Cu-Catalyzed Alkyne-Azide Cycloaddition. Metallation with Ni(II)." Dalton Transactions 44:12225. DOI: 10.1039/c5dt00162e

Dutta A, S Lense, JAS Roberts, ML Helm, and WJ Shaw. 2015. "The Role of Solvent and the Outer Coordination Sphere on H₂ Oxidation Using [Ni(P^Cy₂N^Pyz₂)₂]²⁺." European Journal of Inorganic Chemistry 2015:5218-5225. DOI: 10.1002/ejic.201500732

Gerken JB, and SS Stahl. 2015. "High-Potential Electrocatalytic O₂ Reduction with Nitroxyl/NO_X Mediators: Implications for Fuel Cells and Aerobic Oxication Catalysis." ACS Central Science 1:234-243. DOI: 10.1021/acscentsci.5b00163

Ghosh S, and S Hammes-Schiffer. 2015. "Calculation of Electrochemical Reorganization Energies for Redox Molecules at Self-Assembled Monolayer Modified Electrodes." Journal of Physical Chemistry Letters 6:1-5. DOI: 10.1021/jz5023784

Hammes-Schiffer S. 2015. "Proton-Coupled Electron Transfer: Moving Together and Charging Forward." Journal of the American Chemical Society 137:8860-8871. DOI: 10.1021/jacs.5b04087

Ho MH, M O'Hagan, M Dupuis, DL DuBois, RM Bullock, WJ Shaw, and S Raugei. 2015. "Water-Assisted Proton Delivery and Removal in Bio-Inspired Hydrogen Production Catalysts." Dalton Transactions 44:10969-10979. DOI: 10.1039/C5DT00782H

Ho MH, R Rousseau, JAS Roberts, ES Wiedner, M Dupuis, DL DuBois, RM Bullock, and S Raugei. 2015. "Ab Initio-Based Kinetic Modeling for the Design of Molecular Catalysts: the Case of H₂ Production Electrocatalysts." ACS Catalysis 5:5436-5452. DOI: 10.1021/acscatal.5b01152

Hulley E, N Kumar, S Raugei, and RM Bullock. 2015. "Manganese-Based Molecular Electrocatalysts for Oxidation of Hydrogen." ACS Catalysis 5:6838-6847. DOI: 10.1021/acscatal.5b01751

Kochem A,  M O'Hagan, ES Wiedner, and M van Gastel. 2015. "Combined Spectroscopic and Electrochemical Detection of a Ni^I...H N Bonding Interaction with Relevance to Electrocatalytic H₂ Production." Chemistry: A European Journal 21:10338-10347. DOI: 10.1002/chem.201500954

Labios LA, CJ Weiss, JD Egbert, S Lense, RM Bullock, WG Dougherty, WS Kassel, and MT Mock. 2015. "Synthesis and Protonation Studies of Molybdenum(0) Bis(dinitrogen) Complexes Supported by Diphosphine Ligands Containing Pendant Amines." Zeitschrift für anorganische und allgemeine Chemie 641:105-117. DOI: 10.1002/zaac.201400119

Labios LA, ZM Heiden, and MT Mock. 2015. "Electronic and Steric Influences of Pendant Amine Groups on the Protonation of Molybdenum Bis(Dinitrogen) Complexes." Inorganic Chemistry 54:4409-4422. DOI: 10.1021/acs.inorgchem.5b00209

Liu F, R Divan, and BA Parkinson. 2015. "Fabrication of Carbon-Platinum Interdigitated Array Electrodes and Their Application for Investigating Homogeneous Hydrogen Evolution Catalysis." Journal of the Electrochemical Society 162:H645-H650. DOI: 10.1149/2.0661509jes

Liu T, Q Liao, M O'Hagan, EB Hulley, DL DuBois, and RM Bullock. 2015. "Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H₂." Organometallics 34:2747-2764. DOI: 10.1021/om501289f

Mock MT, AW Pierpont, JD Egbert, M O'Hagan, S Chen, RM Bullock, WG Dougherty, WS Kassel, and R Rousseau. 2015. "Protonation Studies of a Mono-Dinitrogen Complex of Chromium Supported by a 12-Membered Phosphorus Macrocycle Containing Pendant Amines." Inorganic Chemistry 54, 4827–4839. DOI: 10.1021/acs.inorgchem.5b00351

Peterson SM, ML Helm, and AM Appel. 2015. "Nickel Complexes of a Binucleating Ligand Derived from an SCS Pincer." Dalton Transactions 44:747-752. DOI: 10.1039/C4DT02718C

Raugei S, DL DuBois, RJ Rousseau, S Chen, MH Ho, RM Bullock, and M Dupuis. 2015. "Toward Molecular Catalysts by Computer." Accounts of Chemical Research 48:248-255. DOI: 10.1021/ar500342g
Research Highlight: Adventure Planning, Catalyst Style

Rigsby ML, DJ Wasylenko, ML Pegis, and JM Mayer. 2015. "Medium Effects Are as Important as Catalyst Design for Selectivity in Electrocatalytic Oxygen Reduction by Iron-Porphyrin Complexes." Journal of the American Chemical Society 137:4296-4299. DOI: 10.1021/jacs.5b00359

Soudackov AV, and S  Hammes-Schiffer. 2015. "Nonadiabatic Rate Constants for Proton Transfer and Proton-Coupled Electron Transfer Reactions in Solution: Effects of Quadratic Term in the Vibronic Coupling Expansion." Journal of Chemical Physics 143:194101. DOI: 10.1063/1.4935045

Weiss CJ, ES Wiedner, JAS Roberts, and AM Appel. 2015. "Nickel Phosphine Catalysts with Pendant Amines for Electrocatalytic Oxidation of Alcohols." Chemical Communications 51:6172-6174. DOI: 10.1039/C5CC01107H

Brown HJS, S Wiese, JAS Roberts, RM Bullock, and ML Helm. 2015. "Electrocatalytic Hydrogen Production by [Ni(7P^Ph₂N^H)₂]²⁺: Removing the Distinction Between Endo- and Exo-Protonation Sites." ACS Catalysis 5:2116-2123. DOI: 10.1021/cs502132y
 

2014 Publications

Appel AM and ML Helm. 2014. "Determining the Overpotential for a Molecular Electrocatalyst." ACS Catalysis 4(2):630-633. DOI: 10.1021/cs401013v

Blacquiere JM, ML Pegis, S Raugei, W Kaminsky, A Forget, SA Cook, T Taguchi, and JM Mayer. 2014. "Synthesis and Reactivity of Tripodal Complexes Containing Pendant Bases." Inorganic Chemistry 53:9242-9253. DOI: 10.1021/ic5013389

Bullock RM, AM Appel, and ML Helm. 2014. "Production of Hydrogen by Electrocatalysis: Making the H-H Bond by Combining Protons and Hydrides." Chemical Communications 50:3125-3143. DOI:10.1039/C3CC46135A.

Chen S, MH Ho, RM Bullock, DL DuBois, M Dupuis, RJ Rousseau, and S Raugei. 2014. "Computing Free Energy Landscapes: Application to Ni-based Electrocatalysts with Pendant Amines for H₂ Production and Oxidation." ACS Catalysis 4(1):229-242. DOI: 10.1021/cs401104w

Darmon, JM, S Raugei, T Liu, EB Hulley, CJ Weiss, RM Bullock, and ML Helm. 2014. "Iron Complexes for the Electrocatalytic Oxidation of Hydrogen: Tuning Primary and Secondary Coordination Spheres." ACS Catalysis 4(4):1246-1260. DOI: 10.1021/cs500290w

Das AK, MH Engelhard, RM Bullock, and JAS Roberts. 2014. "A Hydrogen-Evolving Ni(P₂N₂)₂ Electrocatalyst Covalently Attached to a Glassy Carbon Electrode: Preparation, Characterization, and Catalysis. Comparisons with the Homogeneous Analogue." Inorganic Chemistry 53:6875-6885. DOI: 10.1021/ic500701a

Das P, MH Ho, MJ O'Hagan, WJ Shaw, RM Bullock, S Raugei, and ML Helm. 2014. "Controlling Proton Movement: Electrocatalytic Oxidation of Hydrogen by a Nickel(II) Complex Containing Proton Relays in the Second and Outer Coordination Spheres." Dalton Transactions 43:2744-2754. DOI: 10.1039/C3DT53074D

Das P, RM Stolley, EF van der Eide, and ML Helm. 2014. "A Ni^II-Bis(Diphosphine)-Hydride Complex Containing Proton Relays - Structural Characterization and Electrocatalytic Studies." European Journal of Inorganic Chemistry 2014:4611-4618. DOI: 10.1002/ejic.201402250

DuBois, DL. 2014. "Development of Molecular Electrocatalysts for Energy Storage." Inorganic Chemistry 53(8):3935-3960. DOI: 10.1021/ic4026969

Dutta A, JAS Roberts, and WJ Shaw. 2014. "Arginine‐Containing Ligands Enhance H2 Oxidation Catalyst Performance." Angewandte Chemie International Edition 53:6487-6491. DOI: 10.1002/anie.201402304

Fang M, ES Wiedner, WG Dougherty, WS Kassel, T Liu, DL DuBois, and RM Bullock. 2014. "Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H₂ Production." Organometallics 33:5820-5833. DOI: 10.1021/om5004607

Fang M, MH Engelhard, Z Zhu, ML Helm, and JAS Roberts. 2014. "Electrodeposition from Acidic Solutions of Nickel Bis(benzenedithiolate) Produces a Hydrogen-Evolving Ni-S Film on Glassy Carbon." ACS Catalysis 4:90-98. DOI: 10.1021/cs400675u

Galan, BR, ES Wiedner, ML Helm, JC Linehan, and AM Appel. 2014. "Effects of Phosphine-Carbene Substitutions on the Electrochemical and Thermodynamic Properties of Nickel Complexes." Organometallics 33:2287-2294. DOI: 10.1021-om500206e.

Ghosh, S, S Horvath, AV Soudackov, and S Hammes-Schiffer. 2014. "Electrochemical Solvent Reorganization Energies in the Framework of the Polarizable Continuum Model." Journal of  Chemical Theory and Computation 10:2091-2102. DOI: 0.1021/ct500051e

Ginovska-Pangovska B, ML Reback, A Dutta, JC Linehan, WJ Shaw, ML Reback, JC Linehan, and WJ Shaw. 2014. “Beyond the Active Site: The Impact of the Outer Coordination Sphere on Electrocatalysts for Hydrogen Production and Oxidation.” Accounts of Chemical Research 47:2621-2630. DOI: 10.1021/ar5001742

Heiden, ZM, S Chen, LA Labios, RM Bullock, ED Walter, EL Tyson, and MT Mock. 2014. "Proton and Electron Additions to Iron(II) Dinitrogen Complexes Containing Pendant Amines." Organometallics 33(6):1333-1336. DOI: 10.1021/om401089d

Hou J, M Fang, AJP Cardenas, WJ Shaw, ML Helm, RM Bullock, JAS Roberts, and M O'Hagan. 2014. "Electrocatalytic H₂ Production with a Turnover Frequency >10⁷ S^-1: The Medium Provides an Increase in Rate but Not Overpotential." Energy and Environmental Science 7:4013-4017. DOI: 10.1039/C4EE01899K

Hulley EB, ML Helm, and RM Bullock. "Heterolytic Cleavage of H₂ By Bifunctional Manganese(I) Complexes: Impact of Ligand Dynamics, Electrophilicity, and Base Positioning." Chemical Sciences 5:4729-4741. DOI:10.1039/C4SC01801J.

Jeletic MS, ML Helm, EB Hulley, MT Mock, AM Appel, and JC Linehan. 2014.  "A Cobalt Hydride Catalyst for the Hydrogenation of CO₂: Pathways for Catalysis and Deactivation." ACS Catalysis 4:3755-3762. DOI: 10.1021/cs5009927

Kumar N, DM Camaioni, M Dupuis, S Raugei, and AM Appel. 2014. “Mechanistic Insights into Hydride Transfer for Catalytic Hydrogenation of CO₂ with Cobalt Complexes.” Dalton Transactions 43:11803-11806. DOI: 10.1039/C4DT01551G

Layfield JP, and S Hammes-Schiffer. 2014. "Hydrogen Tunneling in Enzymes and Biomimetic Models." Chemical Reviews 114:3466-3494. DOI: 10.1021/cr400400p

Lense S, A Dutta, JAS Roberts, and WJ Shaw. 2014. "A Proton Channel Allows a Hydrogen Oxidation Catalyst to Operate at a Moderate Overpotential with Water Acting as a Base." Chemical Communications 50:792-795. DOI: 10.1039/C3CC46829A

Liu F, G Kolesov, and BA Parkinson. 2014. "Preparation, Applications, and Digital Simulation of Carbon Interdigitated Array Electrodes." Analytical Chemistry 86(15):7391-7398. DOI: 10.1021/ac5019364.

Liu T, M Rakowski DuBois, DL DuBois, and RM Bullock. 2014. "Electrochemical Oxidation of H₂ Catalyzed by Ruthenium Hydride Complexes Bearing P₂N₂ Ligands with Pendant Amines as Proton Relays." Energy & Environmental Science 7:3630-3639. DOI:10.1039/C4EE01262C

Liu, T, X Wang, C Hoffmann, DL DuBois, and RM Bullock. 2014. "Heterolytic Cleavage of Hydrogen by an Iron Hydrogenase Model: an Fe‐H⋅⋅⋅H‐N Dihydrogen Bond Characterized by Neutron Diffraction." Angewandte Chemie International Edition 53:5300-5304. DOI: 10.1002.anie.201402090-n/a.

Reback ML, GW Buchko, BL Kier, B Ginovska-Pangovska, Y Xiong, S Lense, J Hou, JAS Roberts, CM Sorensen, S Raugei, TC Squier, and WJ Shaw. 2014. "Enzyme Design from the Bottom Up: An Active Nickel Electrocatalyst with a Structured Peptide Outer Coordination Sphere (pages 1510-1514)." Chemistry: A European Journal 20:1510-1514. DOI: 10.1002/chem.201303976

Solis, BH, and S Hammes-Schiffer. 2014. "Proton-Coupled Electron Transfer in Molecular Electrocatalysis: Theoretical Methods and Design Principles." Inorganic Chemistry 53:6427-6443. DOI: 10.1021-ic5002896

Stolley, RM, JM Darmon, and ML Helm. 2014. "Solvent and Electrolyte Effects on Ni(P^R₂N^R'₂)₂-Catalyzed Electrochemical Oxidation of Hydrogen." Chemical Communications 50(28):3681-3684. DOI: 10.1039/C4CC00295D

Wasylenko DJ, C Rodríguez, ML Pegis, and JM Mayer. 2014. "Direct Comparison of Electrochemical and Spectrochemical Kinetics for Catalytic Oxygen Reduction." Journal of the American Chemical Society 136:12544-12547. DOI: 10.1021/ja505667t

Wiedner ES and ML Helm. 2014. "Comparison of [Ni(P^Ph₂N^Ph₂)₂(CH₃CN)]²⁺ and [Pd(P^Ph₂N^Ph₂)₂]²⁺ as Electrocatalysts for H₂ Production." Organometallics 33:4617-4620. DOI:10.1021/om4010669.

Weiss CJ, JD Egbert, S Chen, ML Helm, RM Bullock, and MT Mock. 2014. "Protonation Studies of a Tungsten Dinitrogen Complex Supported by a Diphosphine Ligand Containing a Pendant Amine." Organometallics 33:2189-2200. DOI: 10.1021/om401127v

Weiss CJ, P Das, DL Miller, ML Helm, and AM Appel. 2014. "Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines." ACS Catalysis 4:2951-2958. DOI: 10.1021/cs500853f

2013 Publications

Bullock RM. 2013. "Abundant Metals Give Precious Hydrogenation Performance." Science 342(6162):1054-1055. DOI: 10.1126/science.1247240

Das AK, MH Engelhard, F Liu, RM Bullock, and JA Roberts. 2013. "The Electrode as Organolithium Reagent: Catalyst-Free Covalent Attachment of Electrochemically Active Species to an Azide-Terminated Glassy Carbon Electrode Surface." Inorganic Chemistry 52(23):13674-13684. DOI:10.1021/ic402247n

Dutta A, S Lense, J Hou, MH Engelhard, JAS Roberts, and WJ Shaw. 2013. "Minimal Proton Channel Enables H₂ Oxidation and Production with a Water-Soluble Nickel-Based Catalyst." Journal of the American Chemical Society 135(49):18490-18496. DOI: 10.1021/ja407826d

Fernandez LE, S Horvath, and S Hammes-Schiffer. 2013. "Theoretical Design of Molecular Electrocatalysts with Flexible Pendant Amines for Hydrogen Production and Oxidation." The Journal of Physical Chemistry Letters 4(3):542-546. DOI: 10.1021/jz3020277

Franz JA, MJ O'Hagan, MH Ho, TL Liu, ML Helm, S Lense, DL DuBois, WJ Shaw, AM Appel, S Raugei, and RM Bullock. 2013. "Conformational Dynamics and Proton Relay Positioning in Nickel Catalysts for Hydrogen Production and Oxidation." Organometallics 32(23):7034-7042. DOI:10.1021/om400695w

Heiden, ZM, S Chen, MT Mock, WG Dougherty, WS Kassel, R Rousseau, and RM Bullock. 2013. "Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine." Inorganic Chemistry 52:4026-4039. DOI: 10.1021/ic4000704

Ho MH, S Chen, RJ Rousseau, M Dupuis, RM Bullock, and S Raugei. 2013. "Bio-Inspired Molecular Catalysts for Hydrogen Oxidation and Hydrogen Production." Chapter 6 in Application of Molecular Modeling to Challenges in Clean Energy. ACS Symposium Series, vol. 1133, ed. G Fitzgerald and N Govind, pp. 89-111.  American Chemical Society, Washington, DC. 

Ho MH, S Raugei, R Rousseau, M Dupuis, and RM Bullock. 2013. "Evaluation of the Role of Water in the H₂ Bond Formation by Ni(II)-Based Electrocatalysts." Journal of Chemical Theory and Computation 9:3505-3514. DOI: 10.1021/ct400396s

Hoffert WA, JAS Roberts, RM Bullock, and ML Helm. 2013. "Production of H₂ at Fast Rates Using a Nickel Electrocatalyst in Water-Acetonitrile Solutions." Chemical Communications 49:7767-7769. DOI: 10.1039/C3CC43203C

Hoffert WA, MT Mock, AM Appel, and JY Yang. 2013. "Incorporation of Hydrogen-Bonding Functionalities into the Second Coordination Sphere of Iron-Based Water-Oxidation Catalysts." European Journal of Inorganic Chemistry 2013:846-3857. DOI: 10.1002/ejic.201201499

Horvath S, LE Fernandez, AM Appel, and S Hammes-Schiffer. 2013. "pH-Dependent Reduction Potentials and Proton-Coupled Electron Transfer Mechanisms in Hydrogen-Producing Nickel Molecular Electrocatalysts." Inorganic Chemistry 52:3643-3652. DOI: 10.1021/ic302056j

Hulley EB, KD Welch, AM Appel, DL DuBois, and RM Bullock. 2013. "Rapid, Reversible Heterolytic Cleavage of Bound H₂." Journal of the American Chemical Society 135:11736-11739. DOI: 10.1021/ja405755j

Liu T, DL DuBois and RM Bullock. 2013. "An Iron Complex with Pendent Amines as a Molecular Electrocatalyst for Oxidation of Hydrogen." Nature Chemistry 5:228-233. DOI: 10.1038/nchem.1571

Ming-Hsun H, C Shentan, R Roger, D Michel, RM Bullock, R Simone. 2013. "Bio-Inspired Molecular Catalysts for Hydrogen Oxidation and Hydrogen Production." Chapter 6 in In Applications of Molecular Modeling to Challenges in Clean Energy, Vol. 1133. ACS Symposium Series, American Chemical Society, Washington, DC.

Mock MT, S Chen, M O’Hagan, R Rousseau, WG Dougherty, WS Kassel, and RM Bullock. 2013. "Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-Membered Phosphorus Macrocycle." Journal of the American Chemical Society 135(31):11493-11496. DOI: 10.1021/ja405668u

Nepomnyashchii AB, F Liu, JAS Roberts, and BA Parkinson. 2013. "Application of Gold Electrodes for the Study of Nickel Based Homogeneous Catalysts for Hydrogen Oxidation." Journal of Electrochemistry and Plating Technology 8:3-7.

Nepomnyashchii, A. B.; Kolesov, G.; and BA Parkinson. 2013. "Electrogenerated Chemiluminescence of BODIPY, Ru(bpy)₃²⁺, and 9,10-Diphenylanthracene Using Interdigitated Array Electrodes." ACS Applied Materials and Interfaces 5:5931-5936. DOI: 10.1021/am4010623

Roberts JAS and RM Bullock. 2013. "Direct Determination of Equilibrium Potentials for Hydrogen Oxidation/Production by Open Circuit Potential Measurements in Acetonitrile." Inorganic Chemistry 52(7):3823-2835. DOI: 10.1021/ic302461q

Shaw WJ, ML Helm, and DL DuBois. 2013. "A Modular, Energy-Based Approach to the Development of Nickel Containing Molecular Electrocatalysts for Hydrogen Production and Oxidation." Biochimica et Biophysica Acta (BBA)-Bioenergetics 1827:1123-1139.

Stewart MP, MH Ho, S Wiese, ML Lindstrom, CE Thogerson, S Raugei, RM Bullock, and ML Helm/ 2013. "High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Cyclic Diphosphine Ligands Containing One Pendant Amine." Journal of the American Chemical Society 135:6033-6046. DOI: 10.1021/ja400181a

Wiedner ES, AM Appel, DL DuBois, and RM Bullock. 2013. "Thermochemical and Mechanistic Studies of Electrocatalytic Hydrogen Production by Cobalt Complexes Containing Pendant Amines." Inorganic Chemistry 52:14391-14403. DOI: 10.1021/ic4025475

Wiedner ES, JAS Roberts, WG Dougherty, WS Kassel, DL DuBois, and RM Bullock. 2013. "Synthesis and Electrochemical Studies of Cobalt(III) Monohydride Complexes Containing Pendant Amines." Inorganic Chemistry 52:9975-9988. DOI: 10.1021/ic401232g

Wiese S, UJ Kilgore, MH Ho, S Raugei, DL DuBois, RM Bullock, and ML Helm. 2013. "Hydrogen Production Using Nickel Electrocatalysts with Pendant Amines: Ligand Effects on Rates and Overpotentials." ACS Catalysis 3(11):2527-2535. DOI:10.1021/cs400638f

Yang JY, SE Smith, T Liu, WG Dougherty, WA Hoffert, WS Kassel, MR DuBois, DL DuBois, and RM Bullock. 2013. "Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere." Journal of the American Chemical Society 135(26):9700-9712. DOI: 10.1021/ja400705a
 

2012 Publications

Carver, CT, BD Matson, and JM Mayer. 2012. "Electrocatalytic Oxygen Reduction by Iron Tetra-arylporphyrins Bearing Pendant Proton Relays." Journal of the American Chemical Society 134, 5444-5447. DOI: 10.1021/ja211987f

Fernandez, LE, S Horvath, S Hammes-Schiffer. 2012. "Theoretical Analysis of the Sequential Proton-Coupled Electron Transfer Mechanisms for H₂ Oxidation and Production Pathways Catalyzed by Nickel Molecular Electrocatalysts." The Journal of Physical Chemistry C. 116, 3171-3180. DOI: 10.1021/jp210690q

Gladysz JA, ZT Ball, G Bertrand, SA Blum, VM Dong, R Dorta, FE Hahn, MG Humphrey, WD Jones, J Klosin, I Manners, TJ Marks, JM Mayer, B Rieger, JC Ritter, AP Sattelberger, JM Schomaker, and VWW Yam. 2012. "Organometallics Roundtable 2011."  Organometallics 31:1-18. DOI: 10.1021/om201234x

Horvath, S, LE Fernandez, AV Soudackov, and S Hammes-Schiffer. 2012. "Insights into Proton-Coupled Electron Transfer Mechanisms of Electrocatalytic H₂ Oxidation and Production." Proceedings of the National Academy of Sciences USA 109, 15663-15668.  DOI: 10.1073/pnas.1118333109

Jain, A, GW Buchko, ML Reback, M O'Hagan, B Ginovska-Pangovska, JC Linehan, and WJ Shaw. 2012. "Active Hydrogenation Catalyst with a Structured, Peptide-Based Outer-Coordination Sphere." ACS Catalysis 2, 2114-2118. DOI: 10.1021/cs3004177

Jain, A, ML Reback, ML Lindstrom, CE Thogerson, ML Helm, AM Appel, and WJ Shaw. 2012. "Investigating the Role of the Outer-Coordination Sphere in [Ni(P^Ph₂N^Ph-R₂)₂]²⁺ Hydrogenase Mimics." Inorganic Chemistry 51, 6592-6602. DOI: 10.1021/ic300149x

Lense, S, MH Ho, S Chen, A Jain, S Raugei, JC Linehan, JAS Roberts, AM Appel, and W Shaw. 2012. "Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base." Organometallics 31, 6719-6731. DOI: 10.1021/om300409y

Liu, T, S Chen, MJ O'Hagan, M Rakowski DuBois, RM Bullock, and DL DuBois. 2012. "Synthesis, Characterization, and Reactivity of Fe Complexes Containing Cyclic Diazadiphosphine Ligands: The Role of the Pendant Base in Heterolytic Cleavage of H₂." Journal of the American Chemical Society 134, 6257-6272. DOI: 10.1021/ja211193j

Matson, BD, CT Carver, A Von Ruden, JY Yang, S Raugei, and JM Mayer. 2012. "Distant Protonated Pyridine Groups in Water-Soluble Iron Porphyrin Electrocatalysts Promote Selective Oxygen Reduction to Water." Chemical Communications 48, 11100-11102. DOI: 10.1039/C2CC35576K

O'Hagan M, MH Ho, JY Yang, AM Appel, M Rakowski DuBois, S Raugei, WJ Shaw, DL DuBois, and RM Bullock.  2012. "Proton Delivery and Removal in [Ni(P^R₂N^R_'2)₂]²⁺ Hydrogen Production and Oxidation Catalysts" Journal of the American Chemical Society 134, 19409-19424. DOI: 10.1021/ja307413x

Pool, DH, MP Stewart, MJ O'Hagan, WJ Shaw, JAS Roberts, RM Bullock, and DL DuBois. 2012. "Acidic Ionic Liquid/Water Solution as Both Medium and Proton Source for Electrocatalytic H₂ Evolution by [Ni(P₂N₂)₂]²⁺ Complexes." Proceedings of the National Academy of Sciences USA 109, 15634-15639. DOI: 10.1073/pnas.1120208109

Raugei, S, S Chen, MH Ho, B Ginovska-Pangovska, RJ Rousseau, M Dupuis, DL DuBois, and RM Bullock. 2012. "The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes." Chemistry - A European Journal 18, 6493-6506. DOI: 10.1002/chem.201103346

Reback ML, B Ginovska-Pangovska, MH Ho, A Jain, TC Squire, S Raugei, JAS Roberts, and WJ Shaw. 2012. "The Role of a Dipeptide Outer-Coordination Sphere on H₂-Production Catalysts: Influence on Catalytic Rates and Electron Transfer." Chemistry: A European Journal 19(6):1928-1941. DOI: 10.1002/chem.201202849

Smieja JM, EE Benson, B Kumar, KA Grice, CS Seu, AJM Miller, JM Mayer, and CP Kubiak. 2012. " Kinetic and Structural Studies, Origins of Selectivity, and Interfacial Charge Transfer in the Artificial Photosynthesis of CO" Proceedings of the National Academy of Sciences USA 109:15646-15650. DOIi: 10.1073/pnas.1119863109

Smith, SE, JY Yang, DL DuBois, and RM Bullock. 2012. "Reversible Electrocatalytic Production and Oxidation of Hydrogen at Low Overpotentials by a Functional Hydrogenase Mimic." Angewandte Chemie International Edition 51, 3152-3155. DOI: 10.1002/anie.201108461

Tronic, TA, W Kaminsky, MK Coggins and JM Mayer. 2012. "Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases." Inorganic Chemistry 51(20):10916-10928. DOI: 10.1021/ic3013987

Waidmann, CR, AJM Miller, CWA Ng, ML Scheuermann, TR Porter, TA Tronic, and JM Mayer. 2012. "Using Combinations of Oxidants and Bases as PCET Reactants: Thermochemical and Practical Considerations." Energy & Environmental Science 5, 7771-7780. DOI: 10.1039/C2EE03300C

Wiedner, ES, JY Yang, S Chen, S Raugei, WG Dougherty, WS Kassel, ML Helm, RM Bullock, M Rakowski DuBois, and DL DuBois. 2012. "Stabilization of Nickel Complexes with Ni⁰···H-N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands." Organometallics. 31(1): 144-156. DOI: 10.1021/om200709z

Weiss, CJ, AN Groves, MT Mock, WG Dougherty, WS Kassel, ML Helm, DL DuBois, and RM Bullock. 2012. "Synthesis and Reactivity of Molybdenum and Tungsten Bis(Dinitrogen) Complexes Supported by Diphosphine Chelates Containing Pendant Amines." Dalton Transactions 41, 4517-4529. DOI: 10.1039/C2DT12224C

Wiese, S, UJ Kilgore, DL DuBois, and RM Bullock. 2012. "[Ni(P^Me₂N^Ph₂)₂](BF4)₂ as an Electrocatalyst for H₂ Production." ACS Catalysis 2012, 720-727. DOI: 10.1021/cs300019h

2011 Publications

Appel AM, DH Pool, M O'Hagan, WJ Shaw, JY Yang, M Rakowski DuBois, DL DuBois, and RM Bullock. 2011. "[Ni(P^Ph₂N^Bn₂)₂(CH₃CN)]²⁺ as an Electrocatalyst for H₂ Production: Dependence on Acid Strength and Isomer Distribution." ACS Catalysis 1, 777-785. DOI: 10.1021/cs2000939

Auer B, LE Fernandez, and S Hammes-Schiffer. 2011. "Theoretical Analysis of Proton Relays in Electrochemical Proton-Coupled Electron Transfer." Journal of the American Chemical Society 133, 8282-8292. DOI:10.1021/ja201560v

Chen, S, R Rousseau, S Raugei, M Dupuis, DL DuBois, RM Bullock. 2011. "Comprehensive Thermodynamics of Nickel Hydride Bis(Diphosphine) Complexes: A Predictive Model through Computations." Organometallics 30, 6108-6118. DOI: 10.1021/om200645x

DuBois DL and RM Bullock. 2011. "Molecular Electrocatalysts for the Oxidation of Hydrogen and the Production of Hydrogen-The Role of Pendant Amines as Proton Relays." European Journal of Inorganic Chemistry 2011, 1017-1027. DOI:10.1002/ejic.201001081
Summary

Dupuis M, S Chen, S Raugei, DL DuBois, and RM Bullock. 2011. "Comment on "New Insights in the Electrocatalytic Proton Reduction and Hydrogen Oxidation by Bioinspired Catalysts: A DFT Investigation." Journal of Physical Chemistry A. 115, 4861-4865. DOI:10.1021/jp111479z

Hammes-Schiffer S. 2011. "Current Theoretical Challenges in Proton-Coupled Electron Transfer: Electron-Proton Nonadiabaticity, Proton Relays, and Ultrafast Dynamics." The Journal of Physical Chemistry Letters 2, 1410-1416. DOI:10.1021/jz200277p

Helm ML; MP Stewart, RM Bullock, M Rakowski DuBois, and DL DuBois. 2011. "A Synthetic Nickel Electrocatalyst with a Turnover Frequency Above 100,000s^-1 for H₂ Production." Science. 333, 863-866. DOI:10.1126/science.1205864

Galan, BR, J Schoffel, JC Linehan, C Seu, AM Appel, JA Roberts, ML Helm, UJ Kilgore, JY Yang, DL DuBois, CP Kubiak. 2011. "Electrocatalytic Oxidation of Formate by [Ni(P^R₂N^R'₂)₂(CH₃CN)]²⁺ Complexes." Journal of the American Chemical Society. 133, 12767-12779. DOI: 10.1021/ja204489e

Kilgore UJ; MP Stewart, ML Helm, WG Dougherty, WS Kassel, M Rakowski DuBois, DL DuBois, and RM Morris. 2011. "Studies of a Series of [Ni(P^R₂N^Ph₂)₂(CH₃CN)]²⁺ Complexes as Electrocatalysts for H₂ Production: Substituent Variation at the Phosphorus Atom of the P₂N₂ Ligand." Inorganic Chemistry 50, 10908-10918. DOI:10.1021/ic201461a

Kilgore UJ, JAS Roberts, DH Pool, AM Appel, MP Stewart, M Rakowski DuBois, WG Dougherty, WS Kassel, RM Bullock, and DL DuBois. 2011. "Ni(P^Ph₂^NC6H4X₂)₂](BF₄)₂ Complexes as Electrocatalysts for H₂ Production: Effect of Substituents, Acids, and Water on Catalytic Rates." Journal of the American Chemical Society. 133, 5861-5872.
Summary

Mock, MT, RG Potter, MJ O'Hagan, DM Camaioni, WG Dougherty, WS Kassel, DL DuBois. 2011. "Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds." Inorganic Chemistry 50, 11914-11928. DOI: 10.1021/ic200857x

Mock MT, S Chen, R Rousseau, M O'Hagan, WG Dougherty, WS Kassel, DL DuBois, and RM Bullock. 2011. "A Rare Terminal Dinitrogen Complex of Chromium." Chemical Communications 47, 12212-12214. DOI:10.1039/C1CC15430C

O'Hagan M, WJ Shaw, S Raugei, S Chen, JY Yang, UJ Kilgore, DL DuBois, and RM Bullock. 2011. "Moving Protons with Pendant Amines: Proton Mobility in a Nickel Catalyst for Oxidation of Hydrogen." Journal of the American Chemical Society 133, 14301-14312.

Small, YA, DL DuBois, E Fujita, JT Muckerman. 2011. "Proton management as a design principle for hydrogenase-inspired catalysts." Energy & Environmental Science 4, 3008-3020. DOI: 10.1039/C1EE01170G

Tronic TA; M Rakowski DuBois, W Kaminsky, MK Werner, MK Coggins, T Liu, and JM Mayer. 2011. "Directing Protons to the Dioxygen Ligand of a Ruthenium(II) Complex with Pendent Amines in the Second Coordination Sphere." Angewandte Chemie. International Edition 50, 10936-10939. DOI:10.1002/anie.201105266

Yang JY, RM Bullock, M Rakowski DuBois, and DL DuBois. 2011. "Fast and Efficient Molecular Electrocatalysts for H₂ Production: Using Hydrogenase Enzymes as Guides." MRS Bulletin 36:39-47 DOI:10.1557/mrs.2010.8
Summary
 

2010 Publications

Chen S, S Raugei, R Rousseau, M Dupuis, and RM Bullock. 2010. "Homogeneous Ni Catalysts for H₂ Oxidation and Production: An Assessment of Theoretical Methods, from Density Functional Theory o Post Hartree-Fock Correlated Wave-Function Theory." Journal of Physical Chemistry A 114, 12716-12724. DOI:10.1021/jp106800n
Summary

Warren JJ, TA Tronic, and JM Mayer. 2010. "Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications." Chemical Reviews 110, 6961-7001. DOI:10.1021/cr100085k

Wiedner ES, JY Yang, WG Dougherty, WS Kassel, RM Bullock, M Rakowski-DuBois, and DL DuBois. 2010. "Comparison of Cobalt and Nickel Complexes with Sterically Demanding Cyclic Diphosphine Ligands: Electrocatalytic H₂ Production by [Co(P^tBu₂N^Ph₂)(CH₃CN)₃](BF₄)₂." ACS Organometallics 29, 5390-5401. DOI:10.1021/om100395r

Yang JY, S Chen, WG Dougherty, WS Kassel, RM Bullock, DL DuBois, S Raugei, R Rousseau, M Dupuis, and M Rakowski DuBois. 2010. "Hydrogen Oxidation Catalysis by a Nickel Diphosphine Complex With Pendant Tert-Butyl Amines." Chemical Communications. 46, 8618-8620. DOI:10.1039/C0CC03246H.
Summary