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Title: High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V 2 O 5 System

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, and stability under highly oxidizing conditions. Here, we report the identification of new photoelectroactive materials through a strategic combination of combinatorial materials synthesis, high-throughput photoelectrochemistry, optical spectroscopy, and detailed electronic structure calculations. We identify 4 photoelectrocatalyst phases - α-Cu 2V 2O 7, β-Cu 2V 2O 7, γ-Cu 3V 2O 8, and Cu 11V 6O 26 - with band gap energy at or below 2 eV. The photoelectrochemical properties and 30-minute stability of these copper vanadate phases are demonstrated in 3 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, we determine new structure-property relationships and establish CuO-V 2O 5 as the most prominent composition system for OER photoelectrocatalysts, providing crucial information formore » materials genomes initiatives and paving the way for continued development of solar fuels photoanodes.« less
Authors:
 [1] ;  [2] ;  [1] ;  [1] ;  [1] ;  [1] ;  [1] ;  [1] ;  [3] ;  [1]
  1. California Inst. of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry; Univ. of California, Berkeley, CA (United States). Dept. of Physics
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry; Univ. of California, Berkeley, CA (United States). Dept. of Physics; Kavli Energy NanoSciences Inst., Berkeley, CA (United States)
Publication Date:
Grant/Contract Number:
SC0004993; AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
Advanced Energy Materials
Additional Journal Information:
Journal Volume: 5; Journal Issue: 22; Journal ID: ISSN 1614-6832
Publisher:
Wiley
Research Org:
California Inst. of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
14 SOLAR ENERGY; solar fuels; copper vanadate; high throughput experimentation; DFT calculations; photoelectrochemistry
OSTI Identifier:
1334191

Zhou, Lan, Yan, Qimin, Shinde, Aniketa, Guevarra, Dan, Newhouse, Paul F., Becerra-Stasiewicz, Natalie, Chatman, Shawn M., Haber, Joel A., Neaton, Jeffrey B., and Gregoire, John M.. High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V 2 O 5 System. United States: N. p., Web. doi:10.1002/aenm.201500968.
Zhou, Lan, Yan, Qimin, Shinde, Aniketa, Guevarra, Dan, Newhouse, Paul F., Becerra-Stasiewicz, Natalie, Chatman, Shawn M., Haber, Joel A., Neaton, Jeffrey B., & Gregoire, John M.. High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V 2 O 5 System. United States. doi:10.1002/aenm.201500968.
Zhou, Lan, Yan, Qimin, Shinde, Aniketa, Guevarra, Dan, Newhouse, Paul F., Becerra-Stasiewicz, Natalie, Chatman, Shawn M., Haber, Joel A., Neaton, Jeffrey B., and Gregoire, John M.. 2015. "High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V 2 O 5 System". United States. doi:10.1002/aenm.201500968. https://www.osti.gov/servlets/purl/1334191.
@article{osti_1334191,
title = {High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V 2 O 5 System},
author = {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.},
abstractNote = {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, and stability under highly oxidizing conditions. Here, we report the identification of new photoelectroactive materials through a strategic combination of combinatorial materials synthesis, high-throughput photoelectrochemistry, optical spectroscopy, and detailed electronic structure calculations. We identify 4 photoelectrocatalyst phases - α-Cu2V2O7, β-Cu2V2O7, γ-Cu3V2O8, and Cu11V6O26 - with band gap energy at or below 2 eV. The photoelectrochemical properties and 30-minute stability of these copper vanadate phases are demonstrated in 3 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, we determine new structure-property relationships and establish CuO-V2O5 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.},
doi = {10.1002/aenm.201500968},
journal = {Advanced Energy Materials},
number = 22,
volume = 5,
place = {United States},
year = {2015},
month = {8}
}