High Throughput Discovery of Solar Fuels Photoanodes in the CuO–V2O5 System |
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Authors: | Lan Zhou Qimin Yan Aniketa Shinde Dan Guevarra Paul F Newhouse Natalie Becerra‐Stasiewicz Shawn M Chatman Joel A Haber Jeffrey B Neaton John M Gregoire |
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Institution: | 1. Joint Center for Artificial Photosynthesis, California Institute of Technology, Pasadena, CA, USA;2. Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA, USA;3. Department of Physics, University of California, Berkeley, CA, USA;4. Kavli Energy NanoSciences Institute, Berkeley, CA, USA |
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Abstract: | 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 ‐Cu2V2O7, β ‐Cu2V2O7, γ ‐Cu3V2O8, and Cu11V6O26, 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–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. |
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Keywords: | copper vanadate density functional theory calculations high throughput experimentation photo‐electrochemistry solar fuels |
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