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Research Spending & Results

Award Detail

Awardee:CALIFORNIA INSTITUTE OF TECHNOLOGY
Doing Business As Name:California Institute of Technology
PD/PI:
  • Harry B Gray
  • (626) 395-6500
  • hbgray@caltech.edu
Award Date:08/14/2008
Estimated Total Award Amount: $ 20,000,000
Funds Obligated to Date: $ 20,164,946
  • FY 2008=$4,000,000
  • FY 2012=$4,149,940
  • FY 2009=$4,003,171
  • FY 2010=$4,011,835
  • FY 2011=$4,000,000
Start Date:08/01/2008
End Date:07/31/2014
Transaction Type: Cooperative Agreements
Agency:NSF
Awarding Agency Code:4900
Funding Agency Code:4900
CFDA Number:47.049
Primary Program Source:040100 NSF RESEARCH & RELATED ACTIVIT
Award Title or Description:POWERING THE PLANET: A Chemical Bonding Center in the Direct Conversion of Sunlight into Chemical Fuel
Federal Award ID Number:0802907
DUNS ID:009584210
Parent DUNS ID:009584210
Program:CHE CENTERS
Program Officer:
  • Katharine Covert
  • (703) 292-4950
  • kcovert@nsf.gov

Awardee Location

Street:1200 E California Blvd
City:PASADENA
State:CA
ZIP:91125-0600
County:Pasadena
Country:US
Awardee Cong. District:27

Primary Place of Performance

Organization Name:California Institute of Technology
Street:1200 E California Blvd
City:PASADENA
State:CA
ZIP:91125-0600
County:Pasadena
Country:US
Cong. District:27

Abstract at Time of Award

The Powering the Planet (PP) Chemical Bonding Center focuses on one of the "Grand Challenges" for the 21st Century: the efficient, and ultimately economical, conversion of solar energy into stored chemical fuels. PP efforts will focus on developing the components for a solar water splitting system. These components are: (i) a membrane-supported assembly that captures sunlight and then efficiently separates and transports charge, (ii) a two-electron catalyst that reduces water to hydrogen, and (iii) a four-electron catalyst that oxidizes water to oxygen. This interdisciplinary effort will involve semiconductor materials, polymeric and inorganic membranes, synthesis, theory, and mechanistic chemistry. The basic science pursued in PP will provide the foundation for future carbon-neutral energy technologies. PP will train a diverse and talented pool of students in the technical skills needed for the solution of this critical challenge. PP will incorporate underrepresented groups through partnering with specific undergraduate institutions and providing broad access to PP research scientists through both direct and virtual (videoconference) interactions. Outside of the laboratory, PP participants will help develop innovative curricula for high school, undergraduate, and graduate students. PP researchers will raise the public's awareness of the challenges of the energy problem, how solar energy can contribute to its solution, the nature of the fundamental scientific challenges in developing a water-splitting device, and the impact of PP research through public lectures, national TV and radio programs. Further, PP PIs will work with several major business leaders and companies in the U.S. to help them develop a position that contributes positively to the energy and sustainability challenges confronting our planet.

Publications Produced as a Result of this Research

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Coe, B. J.; "Syntheses and Properties of Salts of Chromophores with Ferrocenyl Electron Donor Groups and Quaternary Nitrogen Acceptors" Organometallics, v.28, 2009, p.6880-6892.

Coe, B. J.;Fielden, J.;Foxon, S. P.;Helliwell, M.;Brunschwig, B. S.;Asselberghs, I.;Clays, K.;Olesiak, J.;Matczyszyn, K.;Samoc, M.; "Quadratic and Cubic Nonlinear Optical Properties of Salts of Diquat-Based Chromophores with Diphenylamino Substituents" Journal of Physical Chemistry A, v.114, 2010, p.12028-120.

Ping, Y.; Rocca, D.; & Galli, G. "Optical properties of tungsten trioxide from first-principles calculations" PHYSICAL REVIEW B, v.87, 2013, p.165203.

Solis, B. H; & Hammes-Schiffer, S "Computational study of anomalous reduction potentials for hydrogen evolution catalyzed by cobalt dithiolene complexes" Journal of the American Chemical Society, v.134, 2012, p.15253.

Kanan, M. W.;Nocera, D. G.; "In situ formation of an oxygen-evolving catalyst in neutral water containing phosphate and Co2+" Science, v.321, 2008, p.1072-1075.

Hartings, M. R.; "Electron tunneling through sensitizer wires bound to proteins" Coordination Chemistry Reviews, v.254, 2010, p.248-253.

Walter, M. G.; "Solar Water Splitting Cells" Chemical Reviews, v.110, 2010, p.6446-6473.

Ullman, A. M.; Sun, X.; Graham, D. J.; Lopez, N.; Nava, M.; De Las Cuevas, R.; Mu?ller, P.; Rybak-Akimova, E. V.; Cummins, C. C.; & Nocera, D. G. "142. Electron-Transfer Studies of a Peroxide Dianion" Inorganic Chemistry, v.53, 2014, p.5384.

Solis-Ibarra, D.;Silvia, J. S.;Jancik, V.;Cummins, C. C.; "Facile Synthesis of Zero-, One-, and Two-Dimensional Vanadyl Pyrophosphates" Inorganic Chemistry, v.50, 2011, p.9980-9984.

Kanan, M. W.;Surendranath, Y.;Nocera, D. G.; "Cobalt-phosphate oxygen-evolving compound" Chemical Society Reviews, v.38, 2009, p.109-114.

Gerken, J. B.; "Fluoride-Modulated Cobalt Catalysts for Electrochemical Oxidation of Water under Non-Alkaline Conditions" Chemsuschem, v.3, 2010, p.1176-1179.

McKone, J. R.;Warren, E. L.;Bierman, M. J.;Boettcher, S. W.;Brunschwig, B. S.;Lewis, N. S.;Gray, H. B.; "Evaluation of Pt, Ni, and Ni-Mo electrocatalysts for hydrogen evolution on crystalline Si electrodes" Environmental Science, v.4, 2011, p.3573-3583.

Dong, S. S.;Nielsen, R. J.;Palmer, J. H.;Gray, H. B.;Gross, Z.;Dasgupta, S.;Goddard, W. A.; "Electronic Structures of Group 9 Metallocorroles with Axial Ammines" Inorganic Chemistry, v.50, 2011, p.764-770.

Hu, XL; Brunschwig, BS; Peters, JC "Electrocatalytic hydrogen evolution at low overpotentials by cobalt macrocyclic glyoxime and tetraimine complexes" JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.129, 2007, p.8988. doi:10.1021/ja067876  View record at Web of Science

Coe, B. J.; "Quadratic and Cubic Nonlinear Optical Properties of Salts of Diquat-Based Chromophores with Diphenylamino Substituents" Journal of Physical Chemistry A, v.114, 2010, p.12028-120.

Alliger, G. E., Muller, P., Cummins, C. C., & Nocera, D. G. "Cofacial Dicobalt Complex of a Binucleating Hexacarboxamide Cryptand Ligand" INORGANIC CHEMISTRY, v.49, 2010, p.3697.

Spurgeon, J. M.;Boettcher, S. W.;Kelzenberg, M. D.;Brunschwig, B. S.;Atwater, H. A.;Lewis, N. S.; "Flexible, Polymer-Supported, Si Wire Array Photoelectrodes" Advanced Materials, v.22, 2010, p.3277-+.

Mi, Q. X.;Zhanaidarova, A.;Brunschwig, B. S.;Gray, H. B.;Lewis, N. S.; "A quantitative assessment of the competition between water and anion oxidation at WO3 photoanodes in acidic aqueous electrolytes" Environmental Science, v.5, 2012, p.5694-5700.

Durrell, A. C.;Gray, H. B.;Hazari, N.;Incarvito, C. D.;Liu, J.;Yan, E. C. Y.; "Tris(hydroxypropyl)phosphine Oxide: A Chiral Three-Dimensional Material with Nonlinear Optical Properties" Design, v.10, 2010, p.1482-1485.

Lancaster, K. M.; "Type-zero copper proteins" Nature Chemistry, v.1, 2009, p.711-715.

Dempsey, J. L.; "Hydrogen Evolution Catalyzed by Cobaloximes" Accounts of Chemical Research, v.42, 2009, p.1995-2004.

Read, CG; Steinmiller, EMP; Choi, KS "Atomic Plane-Selective Deposition of Gold Nanoparticles on Metal Oxide Crystals Exploiting Preferential Adsorption of Additives" JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.131, 2009, p.12040. doi:10.1021/ja903688  View record at Web of Science

Coe, B. J.;Foxon, S. P.;Harper, E. C.;Helliwell, M.;Raftery, J.;Swanson, C. A.;Brunschwig, B. S.;Clays, K.;Franz, E.;Garin, J.;Orduna, J.;Horton, P. N.;Hursthouse, M. B.; "ased Chromophores" Journal of the American Chemical Society, v.132, 2010, p.1706-1723.

Coe, B. J.; "Two-Dimensional, Pyrazine-Based Nonlinear Optical Chromophores with Ruthenium(II) Ammine Electron Donors" Inorganic Chemistry, v.49, 2010, p.10718-107.

Lee, C. H.; Villagran, D.; Cook, T. R.; Peters, J. C.; & Nocera, D. G. "Pacman and Hangman Metal Tetraazamacrocycles" CHEMSUSCHEM, v., 2013, p.. doi:doi:10.1002/cssc.201300068 

Steinmiller, E. M. P.;Choi, K. S.; "Photochemical deposition of cobalt-based oxygen evolving catalyst on a semiconductor photoanode for solar oxygen production" Proceedings of the National Academy of Sciences of the United States of America, v.106, 2009, p.20633-206.

Pinaud, B. A. Vesborg, P. C. K. Jaramillo, T. F. "Effect of Film Morphology and Thickness on Charge Transport in Ta3N5/Ta Photoanodes for Solar Water Splitting" Journal of Physical Chemistry C, v.116, 2012, p.15918.

Kanan, MW; Surendranath, Y; Nocera, DG "Cobalt-phosphate oxygen-evolving compound" CHEMICAL SOCIETY REVIEWS, v.38, 2009, p.109. doi:10.1039/b802885  View record at Web of Science

Stubbert, B. D.;Peters, J. C.;Gray, H. B.; "Rapid Water Reduction to H(2) Catalyzed by a Cobalt Bis(iminopyridine) Complex" Journal of the American Chemical Society, v.133, 2011, p.18070-180.

Palmer, J. H.;Brock-Nannestad, T.;Mahammed, A.;Durrell, A. C.;VanderVelde, D.;Virgil, S.;Gross, Z.;Gray, H. B.; "Nitrogen Insertion into a Corrole Ring: Iridium Monoazaporphyrins" Angewandte Chemie-International Edition, v.50, 2011, p.9433-9436.

Park, Y.; McDonald, K. J.; & Choi, K-S. "Progress in bismuth vanadate photoanodes for use in solar water oxidation" CHEMICAL SOCIETY REVIEWS, v.42, 2013, p.2321.

Durrell, A. C; Keller, G. E; Lam, Y-C.; Sykora, J.; Vlcek, A.; & Gray, H. B. "Structural Control of (1)A(2u)-to-(3)A(2u) Intersystem Crossing in Diplatinum(II,II) Complexes" JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.134, 2012, p.14201.

Lee, S. W.; Carlton, C.; Risch, M.; Surendranath, Y.; Chen, S.; Furutsuki, S.; Yamada, A.; Nocera, D. G.; & Shao-Horn, Y. "The Nature of Lithium Battery Materials under Oxygen Evolution Reaction Conditions" JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.134, 2012, p.16959.

Coe, BJ; Fielden, J; Foxon, SP; Brunschwig, BS; Asselberghs, I; Clays, K; Samoc, A; Samoc, M "Combining Very Large Quadratic and Cubic Nonlinear Optical Responses in Extended, Tris-Chelate Metallochromophores with Six pi-Conjugated Pyridinium Substituents" JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.132, 2010, p.3496. doi:10.1021/ja910538  View record at Web of Science

Coe, BJ; Foxon, SP; Harper, EC; Harris, JA; Helliwell, M; Raftery, J; Asselberghs, I; Clays, K; Franz, E; Brunschwig, BS; Fitch, AG "The syntheses, structures and nonlinear optical and related properties of salts with julolidinyl electron donor groups" DYES AND PIGMENTS, v.82, 2009, p.171. doi:10.1016/j.dyepig.2008.12.01  View record at Web of Science

Solis, B. H.; Yu, Y.; & Hammes-Schiffer, S "Effects of Ligand Modification and Protonation on Metal Oxime Hydrogen Evolution Electrocatalysts" INORGANIC CHEMISTRY, v.52, 2013, p.6993.

Spurgeon, J. M.; "Flexible, Polymer-Supported, Si Wire Array Photoelectrodes" Advanced Materials, v.22, 2010, p.3277-+.

Harry B Gray "Powering the planet with solar fuel" Nature Chemistry, v.1, 2009, p.7.

Li, Y.; O'Leary, L. E.; Lewis, N. S.; & Galli, G. "Combined Theoretical and Experimental Study of Band-Edge Control of Si through Surface Functionalization" JOURNAL OF PHYSICAL CHEMISTRY C, v.117, 2013, p.5188.

Eisenberg, R.;Gray, H. B.; "Noninnocence in Metal Complexes: A Dithiolene Dawn" Inorganic Chemistry, v.50, 2011, p.9741-9751.

Lancaster, K. M.; "Electronic structures, photophysical properties, and electrochemistry of ruthenium(II)(bpy)(2) pyridylimidazole complexes" Coordination Chemistry Reviews, v.254, 2010, p.1803-1811.

Hu, XL; Cossairt, BM; Brunschwig, BS; Lewis, NS; Peters, JC "Electrocatalytic hydrogen evolution by cobalt difluoroboryl-diglyoximate complexes" CHEMICAL COMMUNICATIONS, v., 2005, p.4723. doi:10.1039/b509188  View record at Web of Science

Surendranath, Y.;Dinca, M.;Nocera, D. G.; "Electrolyte-Dependent Electrosynthesis and Activity of Cobalt-Based Water Oxidation Catalysts" Journal of the American Chemical Society, v.131, 2009, p.2615-2620.

Surendranath, Y.;Kanan, M. W.;Nocera, D. G.; "Mechanistic Studies of the Oxygen Evolution Reaction by a Cobalt-Phosphate Catalyst at Neutral pH" Journal of the American Chemical Society, v.132, 2010, p.16501-165.

Dempsey, J. L.;Brunschwig, B. S.;Winkler, J. R.;Gray, H. B.; "Hydrogen Evolution Catalyzed by Cobaloximes" Accounts of Chemical Research, v.42, 2009, p.1995-2004.

Coe, BJ; Foxon, SP; Harper, EC; Raftery, J; Shaw, R; Swanson, CA; Asselberghs, I; Clays, K; Brunschwig, BS; Fitch, AG "Nonlinear Optical and Related Properties of Iron(II) Pentacyanide Complexes with Quaternary Nitrogen Electron Acceptor Units" INORGANIC CHEMISTRY, v.48, 2009, p.1370. doi:10.1021/ic801224  View record at Web of Science

Popczun, E. J.; McKone, J. R.; Read, C. J.; Biacchi, A. J.; Wiltrout, A. M.; Lewis, N. S.; & Schaak, R. E. "Nanostructured Nickel Phosphide as an Electrocatalyst for the Hydrogen Evolution Reaction" JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.135, 2013, p.9267.

Hollas, A. M.; "Synthesis and Characterization of Pd Complexes of a Carbazolyl/Bis(Imine) NNN Pincer Ligand" Inorganic Chemistry, v.50, 2011, p.3673-3679.

Blanco-Rodriguez, AM; Busby, M; Ronayne, K; Towrie, M; Gradinaru, C; Sudhamsu, J; Sykora, J; Hof, M; Zalis, S; Di Bilio, AJ; Crane, BR; Gray, HB; Vlcek, A "Relaxation Dynamics of Pseudomonas aeruginosa Re-I(CO)(3)(alpha-diimine)(HisX)(+) (X=83, 107, 109, 124, 126)Cu-II Azurins" JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.131, 2009, p.11788. doi:10.1021/ja902744  View record at Web of Science

Yahyaie, I.; Ardo, S.; Oliver, D. R.; Thomson, D. J.; Freund, M. S.; Lewis, N. S. "Comparison between the electrical junction properties of H-terminated and methyl-terminated individual Si microwire/polymer assemblies for photoelectrochemical fuel production" ENERGY & ENVIRONMENTAL SCIENCE, v.5, 2012, p.9789.

Lancaster, KM; George, SD; Yokoyama, K; Richards, JH; Gray, HB "Type-zero copper proteins" NATURE CHEMISTRY, v.1, 2009, p.711. doi:10.1038/NCHEM.41  View record at Web of Science

Mi, Q,; Coridan, R. H.; Brunschwig, B. S.; Gray, H. B.; & Lewis, N. S. "Photoelectrochemical oxidation of anions by WO3 in aqueous and nonaqueous electrolytes" ENERGY & ENVIRONMENTAL SCIENCE, v., 2013, p.. doi:DOI: 10.1039/C3EE40712H 

Palmer, J. H.;Durrell, A. C.;Gross, Z.;Winkler, J. R.;Gray, H. B.; "Near-IR Phosphorescence of Iridium(III) Corroles at Ambient Temperature" Journal of the American Chemical Society, v.132, 2010, p.9230-9231.

Lancaster, KM; Yokoyama, K; Richards, JH; Winkler, JR; Gray, HB "High-Potential C112D/M121X (X = M, E H, L) Pseudomonas aeruginosa Azurins" INORGANIC CHEMISTRY, v.48, 2009, p.1278. doi:10.1021/ic802322  View record at Web of Science

Warren, J. J.; Winkler, J. R.; & Gray, H. B. "Hopping maps for photosynthetic reaction centers" COORDINATION CHEMISTRY REVIEWS, v.257, 2013, p.165.

Huacuja, R.;Herbert, D. E.;Fafard, C. M.;Ozerov, O. V.; "A terminal palladium fluoride complex supported by an anionic PNP pincer ligand" Journal of Fluorine Chemistry, v.131, 2010, p.1257-1261.

Li, Y.; "Electronic and spectroscopic properties of the hydrogen-terminated Si(111) surface from ab initio calculations" Physical Review B, v.82, 2010, p..

Steinmiller, E. M. P.; "Photochemical deposition of cobalt-based oxygen evolving catalyst on a semiconductor photoanode for solar oxygen production" Proceedings of the National Academy of Sciences of the United States of America, v.106, 2009, p.20633-206.

Palmer, J. H.; "Structures and Reactivity Patterns of Group 9 Metallocorroles" Inorganic Chemistry, v.48, 2009, p.9308-9315.

Bercaw, J. E.;Durrell, A. C.;Gray, H. B.;Green, J. C.;Hazari, N.;Labinger, J. A.;Winkler, J. R.; "Electronic Structures of Pd(II) Dimers" Inorganic Chemistry, v.49, 2010, p.1801-1810.

Uyeda, C., & Peters, J. C. "Selective Nitrite Reduction at Heterobimetallic CoMg Complexes" JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v., 2013, p.. doi:DOI: 10.1021/ja4053653 

Dong, S. S.; "Electronic Structures of Group 9 Metallocorroles with Axial Ammines" Inorganic Chemistry, v.50, 2011, p.764-770.

Szymczak, N. K.;Berben, L. A.;Peters, J. C.; "Redox rich dicobalt macrocycles as templates for multi-electron transformations" Chemical Communications, v., 2009, p.6729-6731.

Palmer, J. H.;Mahammed, A.;Lancaster, K. M.;Gross, Z.;Gray, H. B.; "Structures and Reactivity Patterns of Group 9 Metallocorroles" Inorganic Chemistry, v.48, 2009, p.9308-9315.

Sattler, W.; Ener, M. E.; Blakemore, J. D.; Rachford, A. A.; LaBeaume, P. J.; Thackeray, J. W.; Cameron, J. F.; Winkler, J. R.; & Gray, H. B. "Generation of Powerful Tungsten Reductants by Visible Light Excitation" JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.135, 2013, p.10614.

Pijpers, J. J. H.;Winkler, M. T.;Surendranath, Y.;Buonassisi, T.;Nocera, D. G.; "Light-induced water oxidation at silicon electrodes functionalized with a cobalt oxygen-evolving catalyst" Proceedings of the National Academy of Sciences of the United States of America, v.108, 2011, p.10056-100.

Aliano, A.; "Structural and Electronic Properties of the Methyl-Terminated Si(111) Surface" Journal of Physical Chemistry C, v.114, 2010, p.11898-119.

Hartings, MR; Kurnikov, IV; Dunn, AR; Winkler, JR; Gray, HB; Ratner, MA "Electron tunneling through sensitizer wires bound to proteins" COORDINATION CHEMISTRY REVIEWS, v.254, 2010, p.248. doi:10.1016/j.ccr.2009.08.00  View record at Web of Science

Coe, B. J.; "Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability" Journal of the American Chemical Society, v.132, 2010, p.10498-105.

Urie, K. G.;Pletneva, E.;Gray, H. B.;Winkler, J. R.;Kozak, J. J.; "Geometrical analysis of cytochrome c unfolding" Molecular Physics, v.109, 2011, p.301-313.

Venkataraman, C.;Soudackov, A. V.;Hammes-Schiffer, S.; "Photoinduced homogeneous proton-coupled electron transfer: Model study of isotope effects on reaction dynamics" Journal of Chemical Physics, v.131, 2009, p..

Smith, D. A.; Herbert, D. E.; Walensky, J. R.; & Ozerov, O. V. "Monomeric Rhodium(II) Complexes Supported by a Diarylamido/Bis(phosphine) PNP Pincer Ligand and Their Reactivity Toward Dihydrogen" ORGANOMETALLICS, v.32, 2013, p.2050.

Venkataraman, C; Soudackov, AV; Hammes-Schiffer, S "Photoinduced homogeneous proton-coupled electron transfer: Model study of isotope effects on reaction dynamics" JOURNAL OF CHEMICAL PHYSICS, v.131, 2009, p.. doi:10.1063/1.324996  View record at Web of Science

Kim, S. Y.; Hong, J.; Kavian, R.; Lee, S. W.; Hyder, M. N.; Shao-Horn, Y.; & Hammond, P. T. "Rapid fabrication of thick spray-layer-by-layer carbon nanotube electrodes for high power and energy devices" ENERGY & ENVIRONMENTAL SCIENCE, v.6, 2013, p.888.

Esswein, A. J.;Surendranath, Y.;Reece, S. Y.;Nocera, D. G.; "Highly active cobalt phosphate and borate based oxygen evolving catalysts operating in neutral and natural waters" Environmental Science, v.4, 2011, p.499-504.

Silvia, JS; Cummins, CC "Two-Electron Reduction of a Vanadium(V) Nitride by CO To Release Cyanate and Open a Coordination Site" JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.131, 2009, p.446. doi:10.1021/ja807767  View record at Web of Science

Berben, L. A.;Peters, J. C.; "Hydrogen evolution by cobalt tetraimine catalysts adsorbed on electrode surfaces" Chemical Communications, v.46, 2010, p.398-400.

Ping, Y.;Rocca, D.;Lu, D. Y.;Galli, G.; "Ab initio calculations of absorption spectra of semiconducting nanowires within many-body perturbation theory" Physical Review B, v.85, 2012, p..

Whited, M. T.; "Singlet and Triplet Excitation Management in a Bichromophoric Near-Infrared-Phosphorescent BODIPY-Benzoporphyrin Platinum Complex" Journal of the American Chemical Society, v.133, 2011, p.88-96.

Dempsey, J. L.;Winkler, J. R.;Gray, H. B.; "Mechanism of H(2) Evolution from a Photogenerated Hydridocobaloxime" Journal of the American Chemical Society, v.132, 2010, p.16774-167.

Blanco-Rodriguez, A. M.;Busby, M.;Ronayne, K.;Towrie, M.;Gradinaru, C.;Sudhamsu, J.;Sykora, J.;Hof, M.;Zalis, S.;Di Bilio, A. J.;Crane, B. R.;Gray, H. B.;Vlcek, A.; "Relaxation Dynamics of Pseudomonas aeruginosa Re(I)(CO)(3)(alpha-diimine)(HisX)(+) (X=83, 107, 109, 124, 126)Cu(II) Azurins" Journal of the American Chemical Society, v.131, 2009, p.11788-118.

Surendranath, Y.; "Mechanistic Studies of the Oxygen Evolution Reaction by a Cobalt-Phosphate Catalyst at Neutral pH" Journal of the American Chemical Society, v.132, 2010, p.16501-165.

Gali, A.;Voros, M.;Rocca, D.;Zimanyi, G. T.;Galli, G.; "High-Energy Excitations in Silicon Nanoparticles" Nano Letters, v.9, 2009, p.3780-3785.

Uyeda, C.; & Peters, J. C. "Access to formally Ni(I) states in a heterobimetallic NiZn system" CHEMICAL SCIENCE, v.4, 2013, p.157.

Blanco-Rodriguez, A. M.;Di Bilio, A. J.;Shih, C.;Museth, A. K.;Clark, I. P.;Towrie, M.;Cannizzo, A.;Sudhamsu, J.;Crane, B. R.;Sykora, J.;Winkler, J. R.;Gray, H. B.;Zalis, S.;Vlcek, A.; "Phototriggering Electron Flow through Re(I)-modified Pseudomonas aeruginosa Azurins" Chemistry-a European Journal, v.17, 2011, p.5350-5361.

Gerken, J. B.; "Measurement of pH by NMR spectroscopy in concentrated aqueous fluoride buffers" Journal of Fluorine Chemistry, v.132, 2011, p.68-70.

Radosevich, A. T.;Melnick, J. G.;Stoian, S. A.;Bacciu, D.;Chen, C. H.;Foxman, B. M.;Ozerov, O. V.;Nocera, D. G.; "Ligand Reactivity in Diarylamido/Bis(Phosphine) PNP Complexes of Mn(CO)(3) and Re(CO)(3)" Inorganic Chemistry, v.48, 2009, p.9214-9221.

Read, C. G.;Steinmiller, E. M. P.;Choi, K. S.; "Atomic Plane-Selective Deposition of Gold Nanoparticles on Metal Oxide Crystals Exploiting Preferential Adsorption of Additives" Journal of the American Chemical Society, v.131, 2009, p.12040-+.

Venkataraman, C.;Soudackov, A. V.;Hammes-Schiffer, S.; "Dynamics of Photoinduced Proton-Coupled Electron Transfer at Molecule-Semiconductor Interfaces: A Reduced Density Matrix Approach" Journal of Physical Chemistry C, v.114, 2010, p.487-496.

Palmer, J. H.; "Near-IR Phosphorescence of Iridium(III) Corroles at Ambient Temperature" Journal of the American Chemical Society, v.132, 2010, p.9230-9231.

Walter, M. G.;Warren, E. L.;McKone, J. R.;Boettcher, S. W.;Mi, Q. X.;Santori, E. A.;Lewis, N. S.; "Solar Water Splitting Cells" Chemical Reviews, v.110, 2010, p.6446-6473.

Hammes-Schiffer, S.; "Theory of Proton-Coupled Electron Transfer in Energy Conversion Processes" Accounts of Chemical Research, v.42, 2009, p.1881-1889.

Blanco-Rodriguez, A. M.; "Relaxation Dynamics of Pseudomonas aeruginosa Re-I(CO)(3)(alpha-diimine)(HisX)(+) (X=83, 107, 109, 124, 126)Cu-II Azurins" Journal of the American Chemical Society, v.131, 2009, p.11788-118.

Whited, M. T.;Djurovich, P. I.;Roberts, S. T.;Durrell, A. C.;Schlenker, C. W.;Bradforth, S. E.;Thompson, M. E.; "Singlet and Triplet Excitation Management in a Bichromophoric Near-Infrared-Phosphorescent BODIPY-Benzoporphyrin Platinum Complex" Journal of the American Chemical Society, v.133, 2011, p.88-96.

Dinca, M.; "Nickel-borate oxygen-evolving catalyst that functions under benign conditions" Proceedings of the National Academy of Sciences of the United States of America, v.107, 2010, p.10337-103.

Wilson, H. F.;Lu, D. Y.;Gygi, F.;Galli, G.; "Iterative calculations of dielectric eigenvalue spectra" Physical Review B, v.79, 2009, p..

Huacuja, R.; "Reactivity of a Pd(I)-Pd(I) Dimer with O-2: Monohapto Pd Superoxide and Dipalladium Peroxide in Equilibrium" Journal of the American Chemical Society, v.133, 2011, p.3820-3823.

Wilson, H. F.; "Iterative calculations of dielectric eigenvalue spectra" Physical Review B, v.79, 2009, p..

Gerken, J. B.; "Measurement of pH by NMR spectroscopy in concentrated aqueous fluoride buffers" Journal of Fluorine Chemistry, v.132, 2011, p.68-70.

Voeroes, M.; Rocca, D.; Galli, G.; Zimanyi, G. T.; & Gali, A. "Increasing impact ionization rates in Si nanoparticles through surface engineering: A density functional study" PHYSICAL REVIEW B, v.87, 2013, p.155402.

Coe, Benjamin J. and Docherty, Rebecca J. and Foxon, Simon P. and Harper, Elizabeth C. and Helliwell, Madeleine and Raftery, James and Clays, Koen and Franz, Edith and Brunschwig, Bruce S. "Syntheses and Properties of Salts of Chromophores with Ferrocenyl Electron Donor Groups and Quaternary Nitrogen Acceptors" Organometallics, v.28, 2009, p.. doi:10.1021/om9007955 Citation details  

Dempsey, Jillian L. and Brunschwig, Bruce S. and Winkler, Jay R. and Gray, Harry B. "Hydrogen Evolution Catalyzed by Cobaloximes" Accounts of Chemical Research, v.42, 2009, p.. doi:10.1021/ar900253e Citation details  

Hammes-Schiffer, Sharon "Theory of Proton-Coupled Electron Transfer in Energy Conversion Processes" Accounts of Chemical Research, v.42, 2009, p.. doi:10.1021/ar9001284 Citation details  

Steinmiller, E. M. and Choi, K.-S. "Photochemical deposition of cobalt-based oxygen evolving catalyst on a semiconductor photoanode for solar oxygen production" Proceedings of the National Academy of Sciences, v.106, 2009, p.. doi:10.1073/pnas.0910203106 Citation details  

Gali, Adam and Vo?ro?s, Ma?rton and Rocca, Dario and Zimanyi, Gergely T. and Galli, Giulia "High-Energy Excitations in Silicon Nanoparticles" Nano Letters, v.9, 2009, p.. doi:10.1021/nl901970u Citation details  

Venkataraman, Charulatha and Soudackov, Alexander V. and Hammes-Schiffer, Sharon "Photoinduced homogeneous proton-coupled electron transfer: Model study of isotope effects on reaction dynamics" The Journal of Chemical Physics, v.131, 2009, p.. doi:10.1063/1.3249964 Citation details  

Palmer, Joshua H. and Mahammed, Atif and Lancaster, Kyle M. and Gross, Zeev and Gray, Harry B. "Structures and Reactivity Patterns of Group 9 Metallocorroles" Inorganic Chemistry, v.48, 2009, p.. doi:10.1021/ic901164r Citation details  

Read, Carrie G. and Steinmiller, Ellen M. and Choi, Kyoung-Shin "Atomic Plane-Selective Deposition of Gold Nanoparticles on Metal Oxide Crystals Exploiting Preferential Adsorption of Additives" Journal of the American Chemical Society, v.131, 2009, p.. doi:10.1021/ja9036884 Citation details  

Blanco-Rodri?guez, Ana Mari?a and Busby, Michael and Ronayne, Kate and Towrie, Michael and Gra?dinaru, Cristian and Sudhamsu, Jawahar and Sy?kora, Jan and Hof, Martin and Za?lis?, Stanislav and Bilio, Angel J. and Crane, Brian R. and Gray, Harry B. and Vl "Relaxation Dynamics of Pseudomonas aeruginosa Re I (CO) 3 (?-diimine)(HisX) + (X = 83, 107, 109, 124, 126)Cu II Azurins" Journal of the American Chemical Society, v.131, 2009, p.. doi:10.1021/ja902744s Citation details  

Navrotskaya, Irina and Hammes-Schiffer, Sharon "Electrochemical proton-coupled electron transfer: Beyond the golden rule" The Journal of Chemical Physics, v.131, 2009, p.. doi:10.1063/1.3158828 Citation details  

Wilson, Hugh F. and Lu, Deyu and Gygi, François and Galli, Giulia "Iterative calculations of dielectric eigenvalue spectra" Physical Review B, v.79, 2009, p.. doi:10.1103/PhysRevB.79.245106 Citation details  

Gray, Harry B. "Powering the planet with solar fuel" Nature Chemistry, v.1, 2009, p.. doi:10.1038/nchem.141 Citation details  

McKone, J. R.; Sadtler, B. F.; Werlang, C. A.; Lewis, N. S.; & Gray, H. B. "Ni-Mo Nanopowders for Efficient Electrochemical Hydrogen Evolution" ACS CATALYSIS, v.3, 2013, p.166.

Szymczak, Nathaniel K. and Berben, Louise A. and Peters, Jonas C. "Redox rich dicobalt macrocycles as templates for multi-electron transformations" Chemical Communications, v., 2009, p.. doi:10.1039/b913946j Citation details  

Kanan, M. W. and Nocera, D. G. "In Situ Formation of an Oxygen-Evolving Catalyst in Neutral Water Containing Phosphate and Co2+" Science, v.321, 2008, p.. doi:10.1126/science.1162018 Citation details  

Johnson, Jeremiah A. and Lu, Ying Y. and Burts, Alan O. and Xia, Yan and Durrell, Alec C. and Tirrell, David A. and Grubbs, Robert H. "Drug-Loaded, Bivalent-Bottle-Brush Polymers by Graft-through ROMP" Macromolecules, v.43, 2010, p.. doi:10.1021/ma1021506 Citation details  

Coe, Benjamin J. and Fielden, John and Foxon, Simon P. and Helliwell, Madeleine and Asselberghs, Inge and Clays, Koen and De Mey, Kurt and Brunschwig, Bruce S. "Syntheses and Properties of Two-Dimensional, Dicationic Nonlinear Optical Chromophores Based on Pyrazinyl Cores" The Journal of Organic Chemistry, v.75, 2010, p.. doi:10.1021/jo101966r Citation details  

Hammes-Schiffer, Sharon and Stuchebrukhov, Alexei A. "Theory of Coupled Electron and Proton Transfer Reactions" Chemical Reviews, v.110, 2010, p.. doi:10.1021/cr1001436 Citation details  

Dempsey, Jillian L. and Winkler, Jay R. and Gray, Harry B. "Proton-Coupled Electron Flow in Protein Redox Machines" Chemical Reviews, v.110, 2010, p.. doi:10.1021/cr100182b Citation details  

Dempsey, Jillian L. and Winkler, Jay R. and Gray, Harry B. "Mechanism of H 2 Evolution from a Photogenerated Hydridocobaloxime" Journal of the American Chemical Society, v.132, 2010, p.. doi:10.1021/ja109351h Citation details  

Surendranath, Yogesh and Kanan, Matthew W. and Nocera, Daniel G. "Mechanistic Studies of the Oxygen Evolution Reaction by a Cobalt-Phosphate Catalyst at Neutral pH" Journal of the American Chemical Society, v.132, 2010, p.. doi:10.1021/ja106102b Citation details  

Coe, Benjamin J. and Fielden, John and Foxon, Simon P. and Helliwell, Madeleine and Brunschwig, Bruce S. and Asselberghs, Inge and Clays, Koen and Olesiak, Joanna and Matczyszyn, Katarzyna and Samoc, Marek "Quadratic and Cubic Nonlinear Optical Properties of Salts of Diquat-Based Chromophores with Diphenylamino Substituents" The Journal of Physical Chemistry A, v.114, 2010, p.. doi:10.1021/jp106473e Citation details  

Coe, Benjamin J. and Fielden, John and Foxon, Simon P. and Asselberghs, Inge and Clays, Koen and Brunschwig, Bruce S. "Two-Dimensional, Pyrazine-Based Nonlinear Optical Chromophores with Ruthenium(II) Ammine Electron Donors" Inorganic Chemistry, v.49, 2010, p.. doi:10.1021/ic1019197 Citation details  

Lotito, K. J.; "Efficient luminescence from easily prepared three-coordinate copper(I) arylamidophosphines" Chemical Communications, v.46, 2010, p.3690-3692.

Lancaster, K. M.;George, S. D.;Yokoyama, K.;Richards, J. H.;Gray, H. B.; "Type-zero copper proteins" Nature Chemistry, v.1, 2009, p.711-715.

Gray, HB "Powering the planet with solar fuel" NATURE CHEMISTRY, v.1, 2009, p.7. doi:10.1038/nchem.14  View record at Web of Science

Bercaw, J. E., Durrell, A. C., Gray, H. B., Green, J. C., Hazari, N., Labinger, J. A., & Winkler, J. R. "Electronic Structures of Pd-II Dimers" INORGANIC CHEMISTRY, v.49, 2010, p.1801.

Walter, Michael G. and Warren, Emily L. and McKone, James R. and Boettcher, Shannon W. and Mi, Qixi and Santori, Elizabeth A. and Lewis, Nathan S. "Solar Water Splitting Cells" Chemical Reviews, v.110, 2010, p.. doi:10.1021/cr1002326 Citation details  

Huacuja, Rafael and Herbert, David E. and Fafard, Claudia M. and Ozerov, Oleg V. "A terminal palladium fluoride complex supported by an anionic PNP pincer ligand" Journal of Fluorine Chemistry, v.131, 2010, p.. doi:10.1016/j.jfluchem.2010.07.010 Citation details  

Rocca, Dario and Lu, Deyu and Galli, Giulia "Ab initio calculations of optical absorption spectra: Solution of the Bethe?Salpeter equation within density matrix perturbation theory" The Journal of Chemical Physics, v.133, 2010, p.. doi:10.1063/1.3494540 Citation details  

Gerken, James B. and Landis, Elizabeth C. and Hamers, Robert J. and Stahl, Shannon S. "Fluoride-Modulated Cobalt Catalysts for Electrochemical Oxidation of Water under Non-Alkaline Conditions" ChemSusChem, v.3, 2010, p.. doi:10.1002/cssc.201000161 Citation details  

Choi, Kyoung-Shin and Jang, Ho Seong and McShane, Colleen M. and Read, Carrie G. and Seabold, Jason A. "Electrochemical synthesis of inorganic polycrystalline electrodes with controlled architectures" MRS Bulletin, v.35, 2010, p.. doi:10.1557/mrs2010.504 Citation details  

Spurgeon, Joshua M. and Boettcher, Shannon W. and Kelzenberg, Michael D. and Brunschwig, Bruce S. and Atwater, Harry A. and Lewis, Nathan S. "Flexible, Polymer-Supported, Si Wire Array Photoelectrodes" Advanced Materials, v.22, 2010, p.. doi:10.1002/adma.201000602 Citation details  

Coe, Benjamin J. and Fielden, John and Foxon, Simon P. and Harris, James A. and Helliwell, Madeleine and Brunschwig, Bruce S. and Asselberghs, Inge and Clays, Koen and Gari?n, Javier and Orduna, Jesu?s "Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability" Journal of the American Chemical Society, v.132, 2010, p.. doi:10.1021/ja103289a Citation details  

Lancaster, Kyle M. and Gerken, James B. and Durrell, Alec C. and Palmer, Joshua H. and Gray, Harry B. "Electronic structures, photophysical properties, and electrochemistry of ruthenium(II)(bpy)2 pyridylimidazole complexes" Coordination Chemistry Reviews, v.254, 2010, p.. doi:10.1016/j.ccr.2010.04.005 Citation details  

Aliano, Antonio and Li, Yan and Cicero, Giancarlo and Galli, Giulia "Structural and Electronic Properties of the Methyl-Terminated Si(111) Surface" The Journal of Physical Chemistry C, v.114, 2010, p.. doi:10.1021/jp102028z Citation details  

Palmer, Joshua H. and Durrell, Alec C. and Gross, Zeev and Winkler, Jay R. and Gray, Harry B. "Near-IR Phosphorescence of Iridium(III) Corroles at Ambient Temperature" Journal of the American Chemical Society, v.132, 2010, p.. doi:10.1021/ja101647t Citation details  

Li, Yan and Galli, Giulia "Electronic and spectroscopic properties of the hydrogen-terminated Si(111) surface from ab initio calculations" Physical Review B, v.82, 2010, p.. doi:10.1103/PhysRevB.82.045321 Citation details  

Dinca, M. and Surendranath, Y. and Nocera, D. G. "Nickel-borate oxygen-evolving catalyst that functions under benign conditions" Proceedings of the National Academy of Sciences, v.107, 2010, p.. doi:10.1073/pnas.1001859107 Citation details  

Lancaster, K. M.;Gerken, J. B.;Durrell, A. C.;Palmer, J. H.;Gray, H. B.; "Electronic structures, photophysical properties, and electrochemistry of ruthenium(II)(bpy)(2) pyridylimidazole complexes" Coordination Chemistry Reviews, v.254, 2010, p.1803-1811.

McAlpin, J. Gregory and Surendranath, Yogesh and Dinca?, Mircea and Stich, Troy A. and Stoian, Sebastian A. and Casey, William H. and Nocera, Daniel G. and Britt, R. David "EPR Evidence for Co(IV) Species Produced During Water Oxidation at Neutral pH" Journal of the American Chemical Society, v.132, 2010, p.. doi:10.1021/ja1013344 Citation details  

Alliger, Glen E. and Mu?ller, Peter and Cummins, Christopher C. and Nocera, Daniel G. "Cofacial Dicobalt Complex of a Binucleating Hexacarboxamide Cryptand Ligand" Inorganic Chemistry, v.49, 2010, p.. doi:10.1021/ic100395a Citation details  

Durrell, Alec C. and Gray, Harry B. and Hazari, Nilay and Incarvito, Christopher D. and Liu, Jian and Yan, Elsa C. "Tris(hydroxypropyl)phosphine Oxide: A Chiral Three-Dimensional Material with Nonlinear Optical Properties" Crystal Growth & Design, v.10, 2010, p.. doi:10.1021/cg1001286 Citation details  

Coe, Benjamin J. and Fielden, John and Foxon, Simon P. and Brunschwig, Bruce S. and Asselberghs, Inge and Clays, Koen and Samoc, Anna and Samoc, Marek "Combining Very Large Quadratic and Cubic Nonlinear Optical Responses in Extended, Tris-Chelate Metallochromophores with Six ?-Conjugated Pyridinium Substituents" Journal of the American Chemical Society, v.132, 2010, p.. doi:10.1021/ja910538s Citation details  

Silvia, Jared S. and Cummins, Christopher C. "Ligand-Based Reduction of CO 2 to CO Mediated by an Anionic Niobium Nitride Complex" Journal of the American Chemical Society, v.132, 2010, p.. doi:10.1021/ja910445r Citation details  

Bercaw, John E. and Durrell, Alec C. and Gray, Harry B. and Green, Jennifer C. and Hazari, Nilay and Labinger, Jay A. and Winkler, Jay R. "Electronic Structures of Pd II Dimers" Inorganic Chemistry, v.49, 2010, p.. doi:10.1021/ic902189g Citation details  

Coe, Benjamin J. and Foxon, Simon P. and Harper, Elizabeth C. and Helliwell, Madeleine and Raftery, James and Swanson, Catherine A. and Brunschwig, Bruce S. and Clays, Koen and Franz, Edith and Gari?n, Javier and Orduna, Jesu?s and Horton, Peter N. and Hu "Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores" Journal of the American Chemical Society, v.132, 2010, p.. doi:10.1021/ja908667p Citation details  

Hartings, Matthew R. and Kurnikov, Igor V. and Dunn, Alexander R. and Winkler, Jay R. and Gray, Harry B. and Ratner, Mark A. "Electron tunneling through sensitizer wires bound to proteins" Coordination Chemistry Reviews, v.254, 2010, p.. doi:10.1016/j.ccr.2009.08.008 Citation details  

Dempsey, Jillian L. and Winkler, Jay R. and Gray, Harry B. "Kinetics of Electron Transfer Reactions of H 2 -Evolving Cobalt Diglyoxime Catalysts" Journal of the American Chemical Society, v.132, 2010, p.. doi:10.1021/ja9080259 Citation details  

Venkataraman, Charulatha and Soudackov, Alexander V. and Hammes-Schiffer, Sharon "Dynamics of Photoinduced Proton-Coupled Electron Transfer at Molecule?Semiconductor Interfaces: A Reduced Density Matrix Approach" The Journal of Physical Chemistry C, v.114, 2010, p.. doi:10.1021/jp908798n Citation details  

Lotito, Kenneth J. and Peters, Jonas C. "Efficient luminescence from easily prepared three-coordinate copper(i) arylamidophosphines" Chemical Communications, v.46, 2010, p.. doi:10.1039/c000818d Citation details  

Berben, Louise A. and Peters, Jonas C. "Hydrogen evolution by cobalt tetraiminecatalysts adsorbed on electrode surfaces" Chem. Commun., v.46, 2010, p.. doi:10.1039/b921559j Citation details  

Yahyaie, Iman and McEleney, Kevin and Walter, Michael G. and Oliver, Derek R. and Thomson, Douglas J. and Freund, Michael S. and Lewis, Nathan S. "Characterization of the Electrical Properties of Individual p-Si Microwire/Polymer/n-Si Microwire Assemblies" The Journal of Physical Chemistry C, v.115, 2011, p.. doi:10.1021/jp2088719 Citation details  

Solis, Brian H. and Hammes-Schiffer, Sharon "Substituent Effects on Cobalt Diglyoxime Catalysts for Hydrogen Evolution" Journal of the American Chemical Society, v.133, 2011, p.. doi:10.1021/ja208091e Citation details  

Stubbert, Bryan D. and Peters, Jonas C. and Gray, Harry B. "Rapid Water Reduction to H 2 Catalyzed by a Cobalt Bis(iminopyridine) Complex" Journal of the American Chemical Society, v.133, 2011, p.. doi:10.1021/ja2078015 Citation details  

Coe, Benjamin J. and Fielden, John and Foxon, Simon P. and Asselberghs, Inge and Clays, Koen and Van Cleuvenbergen, Stijn and Brunschwig, Bruce S. "Ferrocenyl Diquat Derivatives: Nonlinear Optical Activity, Multiple Redox States, and Unusual Reactivity" Organometallics, v.30, 2011, p.. doi:10.1021/om200604f Citation details  

Solis, Brian H. and Hammes-Schiffer, Sharon "Theoretical Analysis of Mechanistic Pathways for Hydrogen Evolution Catalyzed by Cobaloximes" Inorganic Chemistry, v.50, 2011, p.. doi:10.1021/ic201842v Citation details  

Winkler, Gates R. and Winkler, Jay R. "A light emitting diode based photoelectrochemical screener for distributed combinatorial materials discovery" Review of Scientific Instruments, v.82, 2011, p.. doi:10.1063/1.3657155 Citation details  

Eisenberg, Richard and Gray, Harry B. "Noninnocence in Metal Complexes: A Dithiolene Dawn" Inorganic Chemistry, v.50, 2011, p.. doi:10.1021/ic2011748 Citation details  

Solis-Ibarra, Diego and Silvia, Jared S. and Jancik, Vojtech and Cummins, Christopher C. "Facile Synthesis of Zero-, One-, and Two-Dimensional Vanadyl Pyrophosphates" Inorganic Chemistry, v.50, 2011, p.. doi:10.1021/ic200510y Citation details  

Dong, Qingchen and Rose, Michael J. and Wong, Wai-Yeung and Gray, Harry B. "Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides" Inorganic Chemistry, v.50, 2011, p.. doi:10.1021/ic201213c Citation details  

Palmer, Joshua H. and Brock-Nannestad, Theis and Mahammed, Atif and Durrell, Alec C. and VanderVelde, David and Virgil, Scott and Gross, Zeev and Gray, Harry B. "Nitrogen Insertion into a Corrole Ring: Iridium Monoazaporphyrins" Angewandte Chemie International Edition, v.50, 2011, p.. doi:10.1002/anie.201102913 Citation details  

Gerken, James B. and McAlpin, J. Gregory and Chen, Jamie Y. and Rigsby, Matthew L. and Casey, William H. and Britt, R. David and Stahl, Shannon S. "Electrochemical Water Oxidation with Cobalt-Based Electrocatalysts from pH 0?14: The Thermodynamic Basis for Catalyst Structure, Stability, and Activity" Journal of the American Chemical Society, v.133, 2011, p.. doi:10.1021/ja205647m Citation details  

Benson, Michelle C. and Ruther, Rose E. and Gerken, James B. and Rigsby, Matthew L. and Bishop, Lee M. and Tan, Yizheng and Stahl, Shannon S. and Hamers, Robert J. "Modular ?Click? Chemistry for Electrochemically and Photoelectrochemically Active Molecular Interfaces to Tin Oxide Surfaces" ACS Applied Materials & Interfaces, v.3, 2011, p.. doi:10.1021/am200615r Citation details  

Hammes-Schiffer, Sharon "Current Theoretical Challenges in Proton-Coupled Electron Transfer: Electron?Proton Nonadiabaticity, Proton Relays, and Ultrafast Dynamics" The Journal of Physical Chemistry Letters, v.2, 2011, p.. doi:10.1021/jz200277p Citation details  

Alliger, Glen E. and Mu?ller, Peter and Do, Loi H. and Cummins, Christopher C. and Nocera, Daniel G. "Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand" Inorganic Chemistry, v.50, 2011, p.. doi:10.1021/ic200143b Citation details  

Blanco-Rodríguez, Ana María and Di?Bilio, Angel J. and Shih, Crystal and Museth, Anna Katrine and Clark, Ian P. and Towrie, Michael and Cannizzo, Andrea and Sudhamsu, Jawahar and Crane, Brian R. and Sýkora, Jan and Winkler, Jay R. and Gray, Harry B. and Z "Phototriggering Electron Flow through ReI-modified Pseudomonas aeruginosa Azurins" Chemistry - A European Journal, v.17, 2011, p.. doi:10.1002/chem.201002162 Citation details  

Ruther, Rose E. and Rigsby, Matthew L. and Gerken, James B. and Hogendoorn, Stephanie R. and Landis, Elizabeth C. and Stahl, Shannon S. and Hamers, Robert J. "Highly Stable Redox-Active Molecular Layers by Covalent Grafting to Conductive Diamond" Journal of the American Chemical Society, v.133, 2011, p.. doi:10.1021/ja200210t Citation details  

Hollas, Aaron M. and Gu, Weixing and Bhuvanesh, Nattamai and Ozerov, Oleg V. "Synthesis and Characterization of Pd Complexes of a Carbazolyl/Bis(Imine) NNN Pincer Ligand" Inorganic Chemistry, v.50, 2011, p.. doi:10.1021/ic200026p Citation details  

McDonald, Kenneth J. and Choi, Kyoung-Shin "Photodeposition of Co-Based Oxygen Evolution Catalysts on ?-Fe 2 O 3 Photoanodes" Chemistry of Materials, v.23, 2011, p.. doi:10.1021/cm1020614 Citation details  

Huacuja, Rafael and Graham, Daniel J. and Fafard, Claudia M. and Chen, Chun-Hsing and Foxman, Bruce M. and Herbert, David E. and Alliger, Glen and Thomas, Christine M. and Ozerov, Oleg V. "Reactivity of a Pd(I)?Pd(I) Dimer with O 2 : Monohapto Pd Superoxide and Dipalladium Peroxide in Equilibrium" Journal of the American Chemical Society, v.133, 2011, p.. doi:10.1021/ja200346a Citation details  

Yahyaie, Iman and McEleney, Kevin and Walter, Michael and Oliver, Derek R. and Thomson, Douglas J. and Freund, Michael S. and Lewis, Nathan S. "Electrical Characterization of Si Microwires and of Si Microwire/Conducting Polymer Composite Junctions" The Journal of Physical Chemistry Letters, v.2, 2011, p.. doi:10.1021/jz2001375 Citation details  

Seabold, Jason A. and Choi, Kyoung-Shin "Effect of a Cobalt-Based Oxygen Evolution Catalyst on the Stability and the Selectivity of Photo-Oxidation Reactions of a WO 3 Photoanode" Chemistry of Materials, v.23, 2011, p.. doi:10.1021/cm1019469 Citation details  

Li, Y.;Galli, G.; "Electronic and spectroscopic properties of the hydrogen-terminated Si(111) surface from ab initio calculations" Physical Review B, v.82, 2010, p..

Gerken, J. B.;Landis, E. C.;Hamers, R. J.;Stahl, S. S.; "Fluoride-Modulated Cobalt Catalysts for Electrochemical Oxidation of Water under Non-Alkaline Conditions" Chemsuschem, v.3, 2010, p.1176-1179.

Dong, Sijia S. and Nielsen, Robert J. and Palmer, Joshua H. and Gray, Harry B. and Gross, Zeev and Dasgupta, Siddharth and Goddard, William A. "Electronic Structures of Group 9 Metallocorroles with Axial Ammines" Inorganic Chemistry, v.50, 2011, p.. doi:10.1021/ic1005902 Citation details  

Urie, Kristopher G. and Pletneva, Ekaterina and Gray, Harry B. and Winkler, Jay R. and Kozak, John J. "Geometrical analysis of cytochrome c unfolding" Molecular Physics, v.109, 2011, p.. doi:10.1080/00268976.2010.521202 Citation details  

Whited, Matthew T. and Djurovich, Peter I. and Roberts, Sean T. and Durrell, Alec C. and Schlenker, Cody W. and Bradforth, Stephen E. and Thompson, Mark E. "Singlet and Triplet Excitation Management in a Bichromophoric Near-Infrared-Phosphorescent BODIPY-Benzoporphyrin Platinum Complex" Journal of the American Chemical Society, v.133, 2011, p.. doi:10.1021/ja108493b Citation details  

Gerken, James B. "Measurement of pH by NMR spectroscopy in concentrated aqueous fluoride buffers" Journal of Fluorine Chemistry, v.132, 2011, p.. doi:10.1016/j.jfluchem.2010.10.006 Citation details  

McFarlane, Shaune L. and Day, Brittney A. and McEleney, Kevin and Freund, Michael S. and Lewis, Nathan S. "Designing electronic/ionic conducting membranes for artificial photosynthesis" Energy & Environmental Science, v.4, 2011, p.. doi:10.1039/c0ee00384k Citation details  

McKone, James R. and Warren, Emily L. and Bierman, Matthew J. and Boettcher, Shannon W. and Brunschwig, Bruce S. and Lewis, Nathan S. and Gray, Harry B. "Evaluation of Pt, Ni, and Ni?Mo electrocatalysts for hydrogen evolution on crystalline Si electrodes" Energy & Environmental Science, v.4, 2011, p.. doi:10.1039/c1ee01488a Citation details  

Durrell, Alec C. and Keller, Gretchen E. and Lam, Yan-Choi and Sýkora, Jan and Vl?ek, Antonín and Gray, Harry B. "Structural Control of 1 A 2u -to- 3 A 2u Intersystem Crossing in Diplatinum(II,II) Complexes" Journal of the American Chemical Society, v.134, 2012, p.. doi:10.1021/ja305666b Citation details  

Gerken, James B. and Chen, Jamie Y. and Massé, Robert C. and Powell, Adam B. and Stahl, Shannon S. "Development of an O 2 -Sensitive Fluorescence-Quenching Assay for the Combinatorial Discovery of Electrocatalysts for Water Oxidation" Angewandte Chemie International Edition, v.51, 2012, p.. doi:10.1002/anie.201201999 Citation details  

Hunter, Bryan M. and Villahermosa, Randy M. and Exstrom, Christopher L. and Hill, Michael G. and Mann, Kent R. and Gray, Harry B. "M?M Bond-Stretching Energy Landscapes for M 2 (dimen) 4 2+ (M = Rh, Ir; dimen = 1,8-Diisocyanomenthane) Complexes" Inorganic Chemistry, v.51, 2012, p.. doi:10.1021/ic300716q Citation details  

Cho, Clara J. and O?Leary, Leslie and Lewis, Nathan S. and Greer, Julia R. "In Situ Nanomechanical Measurements of Interfacial Strength in Membrane-Embedded Chemically Functionalized Si Microwires for Flexible Solar Cells" Nano Letters, v.12, 2012, p.. doi:10.1021/nl3014007 Citation details  

Hill, James C. and Choi, Kyoung-Shin "Effect of Electrolytes on the Selectivity and Stability of n-type WO 3 Photoelectrodes for Use in Solar Water Oxidation" The Journal of Physical Chemistry C, v.116, 2012, p.. doi:10.1021/jp209909b Citation details  

Harman, W. Hill and Peters, Jonas C. "Reversible H 2 Addition across a Nickel?Borane Unit as a Promising Strategy for Catalysis" Journal of the American Chemical Society, v.134, 2012, p.. doi:10.1021/ja211419t Citation details  

Hammes-Schiffer, Sharon "Proton-coupled electron transfer: classification scheme and guide to theoretical methods" Energy & Environmental Science, v.5, 2012, p.. doi:10.1039/c2ee03361e Citation details  

Huang, Zhuangqun and Lin, Yongjing and Xiang, Xu and Rodríguez-Córdoba, William and McDonald, Kenneth J. and Hagen, Karl S. and Choi, Kyoung-Shin and Brunschwig, Bruce S. and Musaev, Djamaladdin G. and Hill, Craig L. and Wang, Dunwei and Lian, Tianquan "In situ probe of photocarrier dynamics in water-splitting hematite (?-Fe2O3) electrodes" Energy & Environmental Science, v.5, 2012, p.. doi:10.1039/c2ee22681b Citation details  

Ping, Yuan and Li, Yan and Gygi, Francois and Galli, Giulia "Tungsten Oxide Clathrates for Water Oxidation: A First Principles Study" Chemistry of Materials, v.24, 2012, p.. doi:10.1021/cm3032225 Citation details  

Mi, Qixi and Ping, Yuan and Li, Yan and Cao, Bingfei and Brunschwig, Bruce S. and Khalifah, Peter G. and Galli, Giulia A. and Gray, Harry B. and Lewis, Nathan S. "Thermally Stable N 2 -Intercalated WO 3 Photoanodes for Water Oxidation" Journal of the American Chemical Society, v.134, 2012, p.. doi:10.1021/ja3067622 Citation details  

Warren, Jeffrey J. and Ener, Maraia E. and Vl?ek, Antonín and Winkler, Jay R. and Gray, Harry B. "Electron hopping through proteins" Coordination Chemistry Reviews, v.256, 2012, p.. doi:10.1016/j.ccr.2012.03.032 Citation details  

Lee, Seung Woo and Carlton, Christopher and Risch, Marcel and Surendranath, Yogesh and Chen, Shuo and Furutsuki, Sho and Yamada, Atsuo and Nocera, Daniel G. and Shao-Horn, Yang "The Nature of Lithium Battery Materials under Oxygen Evolution Reaction Conditions" Journal of the American Chemical Society, v.134, 2012, p.. doi:10.1021/ja307814j Citation details  

Surendranath, Y. and Bediako, D. K. and Nocera, D. G. "Interplay of oxygen-evolution kinetics and photovoltaic power curves on the construction of artificial leaves" Proceedings of the National Academy of Sciences, v.109, 2012, p.. doi:10.1073/pnas.1118341109 Citation details  

Valdez, C. N. and Dempsey, J. L. and Brunschwig, B. S. and Winkler, J. R. and Gray, H. B. "Catalytic hydrogen evolution from a covalently linked dicobaloxime" Proceedings of the National Academy of Sciences, v.109, 2012, p.. doi:10.1073/pnas.1118329109 Citation details  

Solis, Brian H. and Hammes-Schiffer, Sharon "Computational Study of Anomalous Reduction Potentials for Hydrogen Evolution Catalyzed by Cobalt Dithiolene Complexes" Journal of the American Chemical Society, v.134, 2012, p.. doi:10.1021/ja306857q Citation details  

Marinescu, S. C. and Winkler, J. R. and Gray, H. B. "Molecular mechanisms of cobalt-catalyzed hydrogen evolution" Proceedings of the National Academy of Sciences, v.109, 2012, p.. doi:10.1073/pnas.1213442109 Citation details  

Strandwitz, Nicholas C. and Turner-Evans, Daniel B. and Tamboli, Adele C. and Chen, Christopher T. and Atwater, Harry A. and Lewis, Nathan S. "Photoelectrochemical Behavior of Planar and Microwire-Array Si|GaP Electrodes" Advanced Energy Materials, v.2, 2012, p.. doi:10.1002/aenm.201100728 Citation details  

Coe, B. J., Docherty, R. J., Foxon, S. P., Harper, E. C., Helliwell, M., Raftery, J., Clays, K., Franz, E., & Brunschwig, B. S. "Syntheses and Properties of Salts of Chromophores with Ferrocenyl Electron Donor Groups and Quaternary Nitrogen Acceptors" ORGANOMETALLICS, v.28, 2009, p.6880.

Suess, Daniel L. and Tsay, Charlene and Peters, Jonas C. "Dihydrogen Binding to Isostructural S = 1 / 2 and S = 0 Cobalt Complexes" Journal of the American Chemical Society, v.134, 2012, p.. doi:10.1021/ja305248f Citation details  

Pinaud, Blaise A. and Vesborg, Peter C. and Jaramillo, Thomas F. "Effect of Film Morphology and Thickness on Charge Transport in Ta 3 N 5 /Ta Photoanodes for Solar Water Splitting" The Journal of Physical Chemistry C, v.116, 2012, p.. doi:10.1021/jp3041742 Citation details  

Rose, Michael J. and Gray, Harry B. and Winkler, Jay R. "Hydrogen Generation Catalyzed by Fluorinated Diglyoxime?Iron Complexes at Low Overpotentials" Journal of the American Chemical Society, v.134, 2012, p.. doi:10.1021/ja300534r Citation details  

Nocera, Daniel G. "The Artificial Leaf" Accounts of Chemical Research, v.45, 2012, p.. doi:10.1021/ar2003013 Citation details  

Tonks, Ian A. and Durrell, Alec C. and Gray, Harry B. and Bercaw, John E. "Groups 5 and 6 Terminal Hydrazido(2?) Complexes: N ? Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States" Journal of the American Chemical Society, v.134, 2012, p.. doi:10.1021/ja302275j Citation details  

Surendranath, Yogesh and Lutterman, Daniel A. and Liu, Yi and Nocera, Daniel G. "Nucleation, Growth, and Repair of a Cobalt-Based Oxygen Evolving Catalyst" Journal of the American Chemical Society, v.134, 2012, p.. doi:10.1021/ja3000084 Citation details  

Rose, Michael J. and Winkler, Jay R. and Gray, Harry B. "Fe 4 Cluster and a Buckled Macrocycle Complex from the Reduction of [(dmgBF 2 ) 2 Fe(L) 2 ] (L = MeCN, t Bu i NC)" Inorganic Chemistry, v.51, 2012, p.. doi:10.1021/ic202253v Citation details  

McCrory, Charles C. and Uyeda, Christopher and Peters, Jonas C. "Electrocatalytic Hydrogen Evolution in Acidic Water with Molecular Cobalt Tetraazamacrocycles" Journal of the American Chemical Society, v.134, 2012, p.. doi:10.1021/ja210661k Citation details  

Li, Yan and Galli, Giulia "Vibrational properties of alkyl monolayers on Si(111) surfaces: Predictions from ab-initio calculations" Applied Physics Letters, v.100, 2012, p.. doi:10.1063/1.3685489 Citation details  

Seabold, Jason A. and Choi, Kyoung-Shin "Efficient and Stable Photo-Oxidation of Water by a Bismuth Vanadate Photoanode Coupled with an Iron Oxyhydroxide Oxygen Evolution Catalyst" Journal of the American Chemical Society, v.134, 2012, p.. doi:10.1021/ja209001d Citation details  

Lopez, N. and Graham, D. J. and McGuire, R. and Alliger, G. E. and Shao-Horn, Y. and Cummins, C. C. and Nocera, D. G. "Reversible Reduction of Oxygen to Peroxide Facilitated by Molecular Recognition" Science, v.335, 2012, p.. doi:10.1126/science.1212678 Citation details  

Liu, Junying and Davis, Nicole R. and Liu, David S. and Hammond, Paula T. "Highly transparent mixed electron and proton conducting polymer membranes" Journal of Materials Chemistry, v.22, 2012, p.. doi:10.1039/c2jm32296j Citation details  

Mi, Qixi and Zhanaidarova, Almagul and Brunschwig, Bruce S. and Gray, Harry B. and Lewis, Nathan S. "A quantitative assessment of the competition between water and anion oxidation at WO3 photoanodes in acidic aqueous electrolytes" Energy & Environmental Science, v.5, 2012, p.. doi:10.1039/c2ee02929d Citation details  

Reece, S. Y.;Hamel, J. A.;Sung, K.;Jarvi, T. D.;Esswein, A. J.;Pijpers, J. J. H.;Nocera, D. G.; "Wireless Solar Water Splitting Using Silicon-Based Semiconductors and Earth-Abundant Catalysts" Science, v.334, 2011, p.645-648.

Winkler, G. R.;Winkler, J. R.; "ode based photoelectrochemical screener for distributed combinatorial materials discovery" Review of Scientific Instruments, v.82, 2011, p..

Ruther, R. E.; "Highly Stable Redox-Active Molecular Layers by Covalent Grafting to Conductive Diamond" emical Society, v.133, 2011, p.5692-5694.

Durrell, A. C.; "Tris(hydroxypropyl)phosphine Oxide: A Chiral Three-Dimensional Material with Nonlinear Optical Properties" Design, v.10, 2010, p.1482-1485.

Yahyaie, I.;McEleney, K.;Walter, M. G.;Oliver, D. R.;Thomson, D. J.;Freund, M. S.;Lewis, N. S.; "Characterization of the Electrical Properties of Individual p-Si Microwire/Polymer/n-Si Microwire Assemblies" Journal of Physical Chemistry C, v.115, 2011, p.24945-249.

Essinger-Hileman, E. R.; Popczun, E. J.; & Schaak, R. E. "Magnetic separation of colloidal nanoparticle mixtures using a material specific peptide" CHEMICAL COMMUNICATIONS, v.49, 2013, p.5471.

Venkataraman, C; Soudackov, AV; Hammes-Schiffer, S "Dynamics of Photoinduced Proton-Coupled Electron Transfer at Molecule-Semiconductor Interfaces: A Reduced Density Matrix Approach" JOURNAL OF PHYSICAL CHEMISTRY C, v.114, 2010, p.487. doi:10.1021/jp908798  View record at Web of Science

Ping, Yuan and Rocca, Dario and Lu, Deyu and Galli, Giulia "Ab initio calculations of absorption spectra of semiconducting nanowires within many-body perturbation theory" Physical Review B, v.85, 2012, p.. doi:10.1103/PhysRevB.85.035316 Citation details  

Rocca, Dario and Ping, Yuan and Gebauer, Ralph and Galli, Giulia "Solution of the Bethe-Salpeter equation without empty electronic states: Application to the absorption spectra of bulk systems" Physical Review B, v.85, 2012, p.. doi:10.1103/PhysRevB.85.045116 Citation details  

Rose, Michael J. and Bellone, Donatela E. and Di Bilio, Angel J. and Gray, Harry B. "Spectroscopic and magnetic properties of an iodo CoI tripodal phosphine complex" Dalton Transactions, v.41, 2012, p.. doi:10.1039/c2dt31229h Citation details  

Yahyaie, Iman and Ardo, Shane and Oliver, Derek R. and Thomson, Douglas J. and Freund, Michael S. and Lewis, Nathan S. "Comparison between the electrical junction properties of H-terminated and methyl-terminated individual Si microwire/polymer assemblies for photoelectrochemical fuel production" Energy & Environmental Science, v.5, 2012, p.. doi:10.1039/c2ee23115h Citation details  

Warren, Emily L. and McKone, James R. and Atwater, Harry A. and Gray, Harry B. and Lewis, Nathan S. "Hydrogen-evolution characteristics of Ni?Mo-coated, radial junction, n+p-silicon microwire array photocathodes" Energy & Environmental Science, v.5, 2012, p.. doi:10.1039/c2ee23192a Citation details  

Rigsby, Matthew L. and Mandal, Sukanta and Nam, Wonwoo and Spencer, Lara C. and Llobet, Antoni and Stahl, Shannon S. "Cobalt analogs of Ru-based water oxidation catalysts: overcoming thermodynamic instability and kinetic lability to achieve electrocatalytic O2 evolution" Chemical Science, v.3, 2012, p.. doi:10.1039/c2sc20755a Citation details  

Cho, C. J.;O "In Situ Nanomechanical Measurements of Interfacial Strength in Membrane-Embedded Chemically Functionalized Si Microwires for Flexible Solar Cells" Nano Letters, v.12, 2012, p.3296-3301.

Aliano, A.;Li, Y.;Cicero, G.;Galli, G.; "Structural and Electronic Properties of the Methyl-Terminated Si(111) Surface" Journal of Physical Chemistry C, v.114, 2010, p.11898-119.

Park, Y., McDonald, K. J., & Choi, K-S. "Progress in bismuth vanadate photoanodes for use in solar water oxidation" CHEMICAL SOCIETY REVIEWS, v.42, 2013, p.2321.

Rocca, D.;Lu, D. Y.;.; "Ab initio calculations of optical absorption spectra: Solution of the Bethe-Salpeter equation within density matrix perturbation theory" Journal of Chemical Physics, v.133, 2010, p..

Li, Y.;Galli, G.; "Vibrational properties of alkyl monolayers on Si(111) surfaces: Predictions from ab-initio calculations" Applied Physics Letters, v.100, 2012, p..

Surendranath, Y.; Bediako, D. K.; & Nocera, D. G. "Interplay of oxygen-evolution kinetics and photovoltaic power curves on the construction of artificial leaves" PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.109, 2012, p.15617.

Hunter, B. M.;Villahermosa, R. M.;Exstrom, C. L.;Hill, M. G.;Mann, K. R.;Gray, H. B.; "M-M Bond-Stretching Energy Landscapes for M-2(dimen)(4)(2+) (M = Rh, Ir; dimen=1,8-Diisocyanomenthane) Complexes" Inorganic Chemistry, v.51, 2012, p.6898-6905.

Read, C. G.; "Atomic Plane-Selective Deposition of Gold Nanoparticles on Metal Oxide Crystals Exploiting Preferential Adsorption of Additives" Journal of the American Chemical Society, v.131, 2009, p.12040-+.

Choi, K. S.;Jang, H. S.;McShane, C. M.;Read, C. G.;Seabold, J. A.; "Electrochemical synthesis of inorganic polycrystalline electrodes with controlled architectures" Mrs Bulletin, v.35, 2010, p.753-760.

Huang, Z.; Lin, Y.; Xiang, X.; Rodriguez-Cordoba, W.; McDonald, K. J.; Hagen, K. S.; Choi, K-S.; Brunschwig, B. S.; Musaev, D. G.; Hill, C. L.; Wang, D.; & Lian, T. "In situ probe of photocarrier dynamics in water-splitting hematite (alpha-Fe2O3) electrodes" ENERGY & ENVIRONMENTAL SCIENCE, v.5, 2012, p.8923.

Marinescu, S. C.; Winkler, J. R.; & Gray, Harry B. "Molecular mechanisms of cobalt-catalyzed hydrogen evolution" PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.109, 2012, p.15127.

Johnson, J. A.; "Drug-Loaded, Bivalent-Bottle-Brush Polymers by Graft-through ROMP" Macromolecules, v.43, 2010, p.10326-103.

Coe, B. J.; "Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores" Journal of the American Chemical Society, v.132, 2010, p.1706-1723.

Berben, L. A.; "Hydrogen evolution by cobalt tetraimine catalysts adsorbed on electrode surfaces" Chemical Communications, v.46, 2010, p.398-400.

Wilson, HF; Lu, DY; Gygi, F; Galli, G "Iterative calculations of dielectric eigenvalue spectra" PHYSICAL REVIEW B, v.79, 2009, p.. doi:10.1103/PhysRevB.79.24510  View record at Web of Science

Coe, B. J.;Docherty, R. J.;Foxon, S. P.;Harper, E. C.;Helliwell, M.;Raftery, J.;Clays, K.;Franz, E.;Brunschwig, B. S.; "Syntheses and Properties of Salts of Chromophores with Ferrocenyl Electron Donor Groups and Quaternary Nitrogen Acceptors" Organometallics, v.28, 2009, p.6880-6892.

Seabold, J. A.; "Effect of a Cobalt-Based Oxygen Evolution Catalyst on the Stability and the Selectivity of Photo-Oxidation Reactions of a WO3 Photoanode" Chemistry of Materials, v.23, 2011, p.1105-1112.

Suess, D. L M; Tsay, C.; & Peters, J. C. "Dihydrogen binding to isostructural s = (1)/(2) and s = 0 cobalt complexes" JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.134, 2012, p.14157.

Coe, B. J.;Fielden, J.;Foxon, S. P.;Asselberghs, I.;Clays, K.;Brunschwig, B. S.; "Two-Dimensional, Pyrazine-Based Nonlinear Optical Chromophores with Ruthenium(II) Ammine Electron Donors" Inorganic Chemistry, v.49, 2010, p.10718-107.

Dempsey, J. L.;Winkler, J. R.;Gray, H. B.; "Proton-Coupled Electron Flow in Protein Redox Machines" Chemical Reviews, v.110, 2010, p.7024-7039.

Alliger, G. E.; "Cofacial Dicobalt Complex of a Binucleating Hexacarboxamide Cryptand Ligand" Inorganic Chemistry, v.49, 2010, p.3697-3699.

Strandwitz, N. C.; Turner-Evans, D. B.; Tamboli, A. C.; Chen, C. T.; Atwater, H. A.; & Lewis, N. S. "Photoelectrochemical Behavior of Planar and Microwire-Array Si|GaP Electrodes" ADVANCED ENERGY MATERIALS, v.2, 2012, p.1109.

Johnson, J. A.;Lu, Y. Y.;Burts, A. O.;Xia, Y.;Durrell, A. C.;Tirrell, D. A.;Grubbs, R. H.; "Drug-Loaded, Bivalent-Bottle-Brush Polymers by Graft-through ROMP" Macromolecules, v.43, 2010, p.10326-103.

Rocca, D.;Ping, Y.;Gebauer, R.;Galli, G.; "Solution of the Bethe-Salpeter equation without empty electronic states: Application to the absorption spectra of bulk systems" Physical Review B, v.85, 2012, p..

Gerken, J. B.;McAlpin, J. G.;Chen, J. Y. C.;Rigsby, M. L.;Casey, W. H.;Britt, R. D.;Stahl, S. S.; "Electrochemical Water Oxidation with Cobalt-Based Electrocatalysts from pH 0-14: The Thermodynamic Basis for Catalyst Structure, Stability, and Activity" Journal of the American Chemical Society, v.133, 2011, p.14431-144.

Mi, Q.; Ping, Y.; Li, Y.; Cao, B.; Brunschwig, B. S.; Khalifah, P. G.; Galli, G. A.; Gray, H. B.; & Lewis, N. S. "Thermally Stable N-2-Intercalated WO3 Photoanodes for Water Oxidation" JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.134, 2012, p.18318.

McAlpin, J. G.; "EPR Evidence for Co(IV) Species Produced During Water Oxidation at Neutral pH" Journal of the American Chemical Society, v.132, 2010, p.6882-+.

Alliger, G. E.;Muller, P.;Cummins, C. C.;Nocera, D. G.; "Cofacial Dicobalt Complex of a Binucleating Hexacarboxamide Cryptand Ligand" Inorganic Chemistry, v.49, 2010, p.3697-3699.

Rose, M. J.;Winkler, J. R.;Gray, H. B.; "Fe-4 Cluster and a Buckled Macrocycle Complex from the Reduction of (dmgBF(2))(2)Fe(L)(2) (L = MeCN, (BuNC)-Bu-t-N-i)" Inorganic Chemistry, v.51, 2012, p.1980-1982.

Nocera, D. G.; "The Artificial Leaf" Accounts of Chemical Research, v.45, 2012, p.767-776.

Dempsey, J. L.;Winkler, J. R.;Gray, H. B.; "Kinetics of Electron Transfer Reactions of H(2)-Evolving Cobalt Diglyoxime Catalysts" Journal of the American Chemical Society, v.132, 2010, p.1060-1065.

Ruther, R. E.;Rigsby, M. L.;Gerken, J. B.;Hogendoorn, S. R.;Landis, E. C.;Stahl, S. S.;Hamers, R. J.; "Highly Stable Redox-Active Molecular Layers by Covalent Grafting to Conductive Diamond" Journal of the American Chemical Society, v.133, 2011, p.5692-5694.

Sharon Hammes-Schiffer "Proton-coupled electron transfer: classification scheme and guide to theoretical methods" ENERGY & ENVIRONMENTAL SCIENCE, v.5, 2012, p.7696.

Alliger, G. E.; "Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand" Inorganic Chemistry, v.50, 2011, p.4107-4115.

Durrell, A. C., Gray, H. B., Hazari, N., Incarvito, C. D., Liu, J., & Yan, E. C. Y. "Tris(hydroxypropyl)phosphine Oxide: A Chiral Three-Dimensional Material with Nonlinear Optical Properties" CRYSTAL GROWTH & DESIGN, v.10, 2010, p.1482.

Gali, A; Voros, M; Rocca, D; Zimanyi, GT; Galli, G "High-Energy Excitations in Silicon Nanoparticles" NANO LETTERS, v.9, 2009, p.3780. doi:10.1021/nl901970  View record at Web of Science

Hammes-Schiffer, S.; "Theory of Proton-Coupled Electron Transfer in Energy Conversion Processes" Accounts of Chemical Research, v.42, 2009, p.1881-1889.

Seabold, J. A.;Choi, K. S.; "Effect of a Cobalt-Based Oxygen Evolution Catalyst on the Stability and the Selectivity of Photo-Oxidation Reactions of a WO(3) Photoanode" Chemistry of Materials, v.23, 2011, p.1105-1112.

Pinaud, B. A.; Benck, J. D.; Seitz, L. C.; Forman, A. J.; Chen, Z.; Deutsch, T. G.; James, B. D.; Baum, K. N.; Baum, G. N.; Ardo, S.; Wang, H.; Miller, E.; & Jaramillo, T. F. "Technical and economic feasibility of centralized facilities for solar hydrogen production via photocatalysis and photoelectrochemistry" ENERGY & ENVIRONMENTAL SCIENCE, v.6, 2013, p.1983.

Coe, B. J.;Fielden, J.;Foxon, S. P.;Asselberghs, I.;Clays, K.;Van Cleuvenbergen, S.;Brunschwig, B. S.; "Ferrocenyl Diquat Derivatives: Nonlinear Optical Activity, Multiple Redox States, and Unusual Reactivity" Organometallics, v.30, 2011, p.5731-5743.

Warren, E. L.; McKone, J. R.; Atwater, H. A.; Gray, H. B.; & Lewis, N. S. "Hydrogen-evolution characteristics of Ni-Mo-coated, radial junction, n(+)p-silicon microwire array photocathodes" ENERGY & ENVIRONMENTAL SCIENCE, v.5, 2012, p.9653.

Dempsey, J. L.;Winkler, J. R.;Gray, H. B.; "Redox reactivity of photogenerated osmium(II) complexes" Dalton Transactions, v.40, 2011, p.10633-106.

Navrotskaya, I; Hammes-Schiffer, S "Electrochemical proton-coupled electron transfer: Beyond the golden rule" JOURNAL OF CHEMICAL PHYSICS, v.131, 2009, p.. doi:10.1063/1.315882  View record at Web of Science

Coe, B. J.;Fielden, J.;Foxon, S. P.;Brunschwig, B. S.;Asselberghs, I.;Clays, K.;Samoc, A.;Samoc, M.; "Combining Very Large Quadratic and Cubic Nonlinear Optical Responses in Extended, Tris-Chelate Metallochromophores with Six pi-Conjugated Pyridinium Substituents" Journal of the American Chemical Society, v.132, 2010, p.3496-3513.

Dempsey, J. L.; "Proton-Coupled Electron Flow in Protein Redox Machines" Chemical Reviews, v.110, 2010, p.7024-7039.

Warren, J. J.; Herrera, N.; Hill, M. G.; Winkler, J. R.; & Gray, H. B. "129. Electron Flow through Nitrotyrosinate in Pseudomonas aeruginosa Azurin" ., JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.135, 2013, p.11151.

Durrell, A. C.; Jackson, M. N.; Hazari, N.; & Gray, H. B. "Making Carbon-Chlorine Bonds by Dipalladium Electrocatalysis" EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, v.7, 2013, p.1134.

Hammes-Schiffer, S.; "Current Theoretical Challenges in Proton-Coupled Electron Transfer: Electron-Proton Nonadiabaticity, Proton Relays, and Ultrafast Dynamics" Journal of Physical Chemistry Letters, v.2, 2011, p.1410-1416.

Kanan, M. W.; "In situ formation of an oxygen-evolving catalyst in neutral water containing phosphate and Co2+" Science, v.321, 2008, p.1072-1075.

Coe, BJ; Foxon, SP; Harper, EC; Helliwell, M; Raftery, J; Swanson, CA; Brunschwig, BS; Clays, K; Franz, E; Garin, J; Orduna, J; Horton, PN; Hursthouse, MB "Evolution of Linear Absorption and Nonlinear Optical Properties in V-Shaped Ruthenium(II)-Based Chromophores" JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.132, 2010, p.1706. doi:10.1021/ja908667  View record at Web of Science

Seabold, J. A.;Choi, K. S.; "Efficient and Stable Photo-Oxidation of Water by a Bismuth Vanadate Photoanode Coupled with an Iron Oxyhydroxide Oxygen Evolution Catalyst" Journal of the American Chemical Society, v.134, 2012, p.2186-2192.

Lopez, N.;Graham, D. J.;McGuire, R.;Alliger, G. E.;Shao-Horn, Y.;Cummins, C. C.;Nocera, D. G.; "Reversible Reduction of Oxygen to Peroxide Facilitated by Molecular Recognition" Science, v.335, 2012, p.450-453.

Alliger, G. E.;Muller, P.;Do, L. H.;Cummins, C. C.;Nocera, D. G.; "Family of Cofacial Bimetallic Complexes of a Hexaanionic Carboxamide Cryptand" Inorganic Chemistry, v.50, 2011, p.4107-4115.

Szymczak, N. K.; "Redox rich dicobalt macrocycles as templates for multi-electron transformations" Chemical Communications, v., 2009, p.6729-6731.

Szymczak, NK; Berben, LA; Peters, JC "Redox rich dicobalt macrocycles as templates for multi-electron transformations" CHEMICAL COMMUNICATIONS, v., 2009, p.6729. doi:10.1039/b913946  View record at Web of Science

McDonald, K. J.; "Photodeposition of Co-Based Oxygen Evolution Catalysts on alpha-Fe2O3 Photoanodes" Chemistry of Materials, v.23, 2011, p.1686-1693.

Rocca, D.; "Ab initio calculations of optical absorption spectra: Solution of the Bethe-Salpeter equation within density matrix perturbation theory" Journal of Chemical Physics, v.133, 2010, p..

Dempsey, J. L.; "Kinetics of Electron Transfer Reactions of H-2-Evolving Cobalt Diglyoxime Catalysts" Journal of the American Chemical Society, v.132, 2010, p.1060-1065.

Ping, Y.; Li, Y.; Gygi, F.; & Galli, G. A. "Tungsten Oxide Clathrates for Water Oxidation: A First Principles Study" CHEMISTRY OF MATERIALS, v.24, 2012, p.4252.

Berben, LA; Peters, JC "Dimanganese and Diiron Complexes of a Binucleating Cyclam Ligand: Four-Electron, Reversible Oxidation Chemistry at High Potentials" INORGANIC CHEMISTRY, v.47, 2008, p.11669. doi:10.1021/ic801289  View record at Web of Science

Gerken, J. B.; Rigsby, M. L.; Ruther, R. E.; Perez-Rodriguez, R. J.; Guzei, I. A.; Hamers, R. J.; & Stahl, S. S. "Modular Synthesis of Alkyne-Substituted Ruthenium Polypyridyl Complexes Suitable for "Click" Coupling" INORGANIC CHEMISTRY, v.52, 2013, p.2796.

Lotito, K. J.;Peters, J. C.; "Efficient luminescence from easily prepared three-coordinate copper(I) arylamidophosphines" Chemical Communications, v.46, 2010, p.3690-3692.

Coe, B. J.;Fielden, J.;Foxon, S. P.;Harris, J. A.;Helliwell, M.;Brunschwig, B. S.;Asselberghs, I.;Clays, K.;Garin, J.;Orduna, J.; "Diquat Derivatives: Highly Active, Two-Dimensional Nonlinear Optical Chromophores with Potential Redox Switchability" Journal of the American Chemical Society, v.132, 2010, p.10498-105.

Kanan, MW; Nocera, DG "In situ formation of an oxygen-evolving catalyst in neutral water containing phosphate and Co2+" SCIENCE, v.321, 2008, p.1072. doi:10.1126/science.116201  View record at Web of Science

Hammes-Schiffer, S. "Theory of Proton-Coupled Electron Transfer in Energy Conversion Processes" ACCOUNTS OF CHEMICAL RESEARCH, v.42, 2009, p.1881.

Dinca, M.;Surendranath, Y.;Nocera, D. G.; "Nickel-borate oxygen-evolving catalyst that functions under benign conditions" Proceedings of the National Academy of Sciences of the United States of America, v.107, 2010, p.10337-103.

Bercaw, J. E.; "Electronic Structures of Pd-II Dimers" Inorganic Chemistry, v.49, 2010, p.1801-1810.

Urie, K. G.; "Geometrical analysis of cytochrome c unfolding" Molecular Physics, v.109, 2011, p.301-313.

Bingoel, B.; Durrell, A. C.; Keller, G. E.; Palmer, J. H.; Grubbs, R. H.; & Gray, H. B. "Electron Transfer Triggered by Optical Excitation of Phenothiazinetris(meta-phenylene-ethynylene)-(tricarbonyl)(bpy)(py)rhenium(I)" JOURNAL OF PHYSICAL CHEMISTRY B, v.117, 2013, p.4177.

Silvia, J. S.;Cummins, C. C.; "Ligand-Based Reduction of CO(2) to CO Mediated by an Anionic Niobium Nitride Complex" Journal of the American Chemical Society, v.132, 2010, p.2169-+.

Palmer, JH; Mahammed, A; Lancaster, KM; Gross, Z; Gray, HB "Structures and Reactivity Patterns of Group 9 Metallocorroles" INORGANIC CHEMISTRY, v.48, 2009, p.9308. doi:10.1021/ic901164  View record at Web of Science

Hammes-Schiffer, S.;Stuchebrukhov, A. A.; "Theory of Coupled Electron and Proton Transfer Reactions" Chemical Reviews, v.110, 2010, p.6939-6960.

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Blanco-Rodriguez, A. M.; "Phototriggering Electron Flow through Re-I-modified Pseudomonas aeruginosa Azurins" Chemistry-a European Journal, v.17, 2011, p.5349-5360.

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Project Outcomes Report

Disclaimer

This Project Outcomes Report for the General Public is displayed verbatim as submitted by the Principal Investigator (PI) for this award. Any opinions, findings, and conclusions or recommendations expressed in this Report are those of the PI and do not necessarily reflect the views of the National Science Foundation; NSF has not approved or endorsed its content.

The NSF Center for Chemical Innovation in Solar Fuels (CCI Solar Fuels) focuses on one of the “holygrails” of 21st Century chemistry – the efficient and economical conversion of solar energy into stored chemical fuel. CCI Solar Fuels is targeting the critical science underpinning the solar-driven decomposition of water into H2 and O2. The research is inherently interdisciplinary and collaborative, involving inorganic and organic synthesis, solid-state chemistry and physics, electrochemistry, chemical kinetics and mechanism, and theoretical and computational chemistry.

Solar fuels production involves three basic components: light absorption; charge transport; and multielectron redox catalysis. Research in CCI Solar Fuels is targeting the discovery of new molecules and materials with improved performance in each of these areas and the elucidation of the enabling chemistry required to integrate these components for efficient solar water splitting. Requirements for scalability and economic viability demand that CCI Solar research be directed toward earth-abundant elements. Elucidation and control of fundamental interfacial properties are essential for the seamless integration of semiconductors, catalysts, membranes, liquids, and gases into functional assemblies. Collaborative research efforts in CCI Solar are vigorously pursuing development of new semiconductors with optimum light-absorption and charge-separation properties; discovery of new homogeneous and heterogeneous catalysts that split water into H2 and O2 with maximum rates and minimum overpotentials; nanostructuring of catalytic materials to optimize performance; elucidation of reaction mechanisms to identify catalytic bottlenecks and inform designs for their removal; integration of catalysts and semiconductors to produce functional photoanodes and photocathodes; discovery of ionconductive membrane materials to separate anode and cathode compartments; and construction of photoanode-membrane-photocathode assemblies.

CCI Solar Fuels activities directly impact thousands of K-12, undergraduate, and graduate students; postdoctoral scholars and working scientists; and members of the public at large. A vigorous outreach program delivers Juice-from-Juice solar science activity kits to elementary, middle, and high school students. Solar Energy Activity Lab kits are involving high school and undergraduate students in research through a combinatorial search for new solar materials. An Informal Science Education program will bring these activities to new and younger audiences. CCI Solar graduate students and postdoctoral scholars acquire invaluable experience by serving as mentors in these outreach programs. Involving underrepresented groups is a particular point of emphasis in the program: seven of eighteen senior investigators are members of underrepresented groups; two investigators focus exclusively on outreach activities; and two investigators are faculty members at universities with large underrepresented student populations. CCI Solar researchers are delivering the message of clean renewable solar fuels in television, radio, and online programs; public lectures, scientific research conferences; and consultations with local, state, and federal government officials. The technological, environmental, economic, and social benefits of renewable solar fuels cannot be overstated: every human being on Earth would be impacted by the development of sustainable energy resources. CCI Solar researchers are actively engaged to bring this goal to fruition.

Phase II of CCI Solar Fuels covered the period 1 August, 2008 through 31 July, 2014. 20 PI and Co-PIs at 16 institutions worked with over 300 undergraduate students, graduate students, postdoctoral associates, staff, and visiting students, and faculty. NSF support has produced 146 journal publicat...

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