Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment

Journal Article · 05 March 2017 · Proceedings of the National Academy of Sciences of the United States of America

DOI: https://doi.org/10.1073/pnas.1619940114 · OSTI ID:1345845

Yan, Qimin ^[1]; Yu, Jie ^[2]; Suram, Santosh K. ^[3]; Zhou, Lan ^[3]; Shinde, Aniketa ^[3]; Newhouse, Paul F. ^[3]; Chen, Wei ^[4]; Li, Guo ^[5]; Persson, Kristin A. ^[6]; Gregoire, John M. ^[3]; Neaton, Jeffrey B. ^[7]

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1. Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA 94720,, Department of Physics, University of California, Berkeley, CA 94720,
2. Joint Center for Artificial Photosynthesis, California Institute of Technology, Pasadena, CA 91125,, Environmental Energy Technologies Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720,, Joint Center for Artificial Photosynthesis, Lawrence Berkeley National Laboratory, Berkeley, CA 94720,
3. Joint Center for Artificial Photosynthesis, California Institute of Technology, Pasadena, CA 91125,
4. Environmental Energy Technologies Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720,
5. Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA 94720,, Department of Physics, University of California, Berkeley, CA 94720,, Joint Center for Artificial Photosynthesis, Lawrence Berkeley National Laboratory, Berkeley, CA 94720,
6. Environmental Energy Technologies Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720,, Department of Materials Science and Engineering, University of California, Berkeley, CA 94720,
7. Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, CA 94720,, Department of Physics, University of California, Berkeley, CA 94720,, Joint Center for Artificial Photosynthesis, Lawrence Berkeley National Laboratory, Berkeley, CA 94720,, Kavli Energy NanoSciences Institute at Berkeley, Berkeley, CA 94720

Significance Combining high-throughput computation and experiment accelerates the discovery of photoelectrocatalysts for water oxidation and explains the origin of their functionality, establishing ternary metal vanadates as a prolific class of photoanode materials for generation of chemical fuels from sunlight.

• Sponsoring Organization: USDOE
• Grant/Contract Number: AC02-05CH11231; SC0004993
• OSTI ID: 1345845
• Journal Information: Proceedings of the National Academy of Sciences of the United States of America, Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Issue: 12 Vol. 114; ISSN 0027-8424
• Publisher: Proceedings of the National Academy of SciencesCopyright Statement
• Country of Publication: United States
• Language: English