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High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V_2O_5 System

Zhou, Lan and Yan, Qimin and Shinde, Aniketa and Guevarra, Dan and Newhouse, Paul F. and Becerra-Stasiewicz, Natalie and Chatman, Shawn M. and Haber, Joel A. and Neaton, Jeffrey B. and Gregoire, John M. (2015) High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V_2O_5 System. Advanced Energy Materials, 5 (22). Art. No. 1500968. ISSN 1614-6832. doi:10.1002/aenm.201500968.

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Solar photoelectrochemical generation of fuel is a promising energy technology yet the lack of an efficient, robust photoanode remains a primary materials challenge in the development and deployment of solar fuels generators. Metal oxides comprise the most promising class of photoanode materials, but no known material meets the demanding requirements of low band gap energy, photoelectrocatalysis of the oxygen evolution reaction (OER), and stability under highly oxidizing conditions. Here, the identification of new photoelectroactive materials is reported through a strategic combination of combinatorial materials synthesis, high-throughput photoelectrochemistry, optical spectroscopy, and detailed electronic structure calculations. Four photoelectrocatalyst phases, α-Cu_2V_2O_7, β-Cu_2V_2O_7,γ-Cu_3V_2O_8, and Cu_(11)V_6O_(26), are reported with band gap energy at or below 2 eV. The photoelectrochemical properties and 30 min stability of these copper vanadate phases are demonstrated in three different aqueous electrolytes (pH 7, pH 9, and pH 13), with select combinations of phase and electrolyte exhibiting unprecedented photoelectrocatalytic stability for metal oxides with sub-2 eV band gap. Through integration of experimental and theoretical techniques, new structure-property relationships are determined and establish CuO–V_2O_5 as the most prominent composition system for OER photoelectrocatalysts, providing crucial information for materials genomes initiatives and paving the way for continued development of solar fuels photoanodes.

Item Type:Article
Related URLs:
URLURL TypeDescription Information
Zhou, Lan0000-0002-7052-266X
Shinde, Aniketa0000-0003-2386-3848
Guevarra, Dan0000-0002-9592-3195
Newhouse, Paul F.0000-0003-2032-3010
Chatman, Shawn M.0000-0002-7951-5968
Haber, Joel A.0000-0001-7847-5506
Neaton, Jeffrey B.0000-0001-7585-6135
Gregoire, John M.0000-0002-2863-5265
Alternate Title:High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V2O5 System
Additional Information:© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. Received: May 15, 2015; Revised: July 19, 2015; Article first published online: 26 Aug 2015. This manuscript is based upon work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy (Award No. DE-SC0004993). Computational work was supported by the Materials Project Predictive Modeling Center (EDCBEE) through the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract No. DE-AC02-05CH11231. Work at the Molecular Foundry was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02–05CH11231. The authors thank F. M. Toma and I. D. Sharp for preparation of the BiVO_4 electrodes and H. J. Lewerenz and H. A. Atwater for illuminating discussions.
Funding AgencyGrant Number
Department of Energy (DOE)DE-SC0004993
Department of Energy (DOE)DE-AC02-05CH11231
Subject Keywords:copper vanadate; density functional theory calculations; high throughput experimentation; photo-electrochemistry; solar fuels
Issue or Number:22
Record Number:CaltechAUTHORS:20150902-125617374
Persistent URL:
Official Citation:Zhou L., Yan Q., Shinde A., Guevarra D., Newhouse P. F., Becerra-Stasiewicz N., Chatman S. M., Haber J. A., Neaton J. B., Gregoire J. M. (2015). High Throughput Discovery of Solar Fuels Photoanodes in the CuO–V2O5 System. Adv. Energy Mater., 5: 1500968. doi: 10.1002/aenm.201500968
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:60033
Deposited By: Tony Diaz
Deposited On:08 Sep 2015 03:12
Last Modified:10 Nov 2021 22:28

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