DOI: 10.1073/pnas.1619940114. Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment

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

10.1073/pnas.1619940114

Crossref journal-article

Proceedings of the National Academy of Sciences

Proceedings of the National Academy of Sciences (341)

Abstract

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.

Bibliography

Yan, Q., Yu, J., Suram, S. K., Zhou, L., Shinde, A., Newhouse, P. F., Chen, W., Li, G., Persson, K. A., Gregoire, J. M., & Neaton, J. B. (2017). Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment. Proceedings of the National Academy of Sciences, 114(12), 3040â3043.

Authors 11

Qimin Yan (first)
Jie Yu (additional)
Santosh K. Suram (additional)
Lan Zhou (additional)
Aniketa Shinde (additional)
Paul F. Newhouse (additional)
Wei Chen (additional)
Guo Li (additional)
Kristin A. Persson (additional)
John M. Gregoire (additional)
Jeffrey B. Neaton (additional)

References 35 Referenced 167

10.1063/1.4812323
10.1007/s11837-013-0755-4
10.1016/j.commatsci.2012.02.002
10.1038/nmat3568
10.1038/ncomms3292
10.1039/C2EE23482C
10.1039/C1EE02717D
10.1038/natrevmats.2015.4
10.1039/C6EE02697D
10.1038/nchem.2207
10.1038/ncomms12315
10.1021/cm703099j
10.1039/c2ee22341d
10.1016/j.solidstatesciences.2012.01.013
10.1039/b310428a
10.1021/cm802894z
10.1002/aenm.201401840
10.1021/acs.jpcc.5b06658
10.1039/C5RA22586H
10.1016/j.jphotochem.2010.08.010
10.1021/cm504327f
10.1088/0953-8984/9/4/002
10.1016/0927-0256(96)00008-0
10.1103/RevModPhys.74.601
10.1063/1.2204597
10.1063/1.2085170
10.1063/1.3548872
10.1039/c3cp54589j
W Min, Q Liu, Synthesis and photocatalytic property of Cu3V2O8 prepared by liquid phase precipitation. Adv Mat Res 236-238, 1675–1678 (2011). / Adv Mat Res / Synthesis and photocatalytic property of Cu3V2O8 prepared by liquid phase precipitation by Min W (2011)
10.1080/23312009.2016.1143344
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10.1002/aenm.201500968
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10.1038/ncomms13706

Dates

Type	When
Created	8 years, 5 months ago (March 6, 2017, 9 p.m.)
Deposited	3 years, 4 months ago (April 13, 2022, 2:44 a.m.)
Indexed	4 days ago (Aug. 21, 2025, 12:58 p.m.)
Issued	8 years, 5 months ago (March 6, 2017)
Published	8 years, 5 months ago (March 6, 2017)
Published Online	8 years, 5 months ago (March 6, 2017)
Published Print	8 years, 5 months ago (March 21, 2017)

Funders 3

U.S. Department of Energy (DOE) 10.13039/100000015 U.S. Department of Energy
Region: Americas
gov (National government)
Labels8
1. Energy Department
2. Department of Energy
3. United States Department of Energy
4. ENERGY.GOV
5. US Department of Energy
6. USDOE
7. DOE
8. USADOE
Awards1
1. DE-AC02-05CH11231
U.S. Department of Energy (DOE) 10.13039/100000015 U.S. Department of Energy
Region: Americas
gov (National government)
Labels8
1. Energy Department
2. Department of Energy
3. United States Department of Energy
4. ENERGY.GOV
5. US Department of Energy
6. USDOE
7. DOE
8. USADOE
Awards1
1. DE-SC0004993
U.S. Department of Energy (DOE) 10.13039/100000015 U.S. Department of Energy
Region: Americas
gov (National government)
Labels8
1. Energy Department
2. Department of Energy
3. United States Department of Energy
4. ENERGY.GOV
5. US Department of Energy
6. USDOE
7. DOE
8. USADOE
Awards1
1. DE-AC02-05CH11231

BibTeX

@article{Yan_2017, title={Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment}, volume={114}, ISSN={1091-6490}, url={http://dx.doi.org/10.1073/pnas.1619940114}, DOI={10.1073/pnas.1619940114}, number={12}, journal={Proceedings of the National Academy of Sciences}, publisher={Proceedings of the National Academy of Sciences}, author={Yan, Qimin and Yu, Jie and Suram, Santosh K. and Zhou, Lan and Shinde, Aniketa and Newhouse, Paul F. and Chen, Wei and Li, Guo and Persson, Kristin A. and Gregoire, John M. and Neaton, Jeffrey B.}, year={2017}, month=mar, pages={3040–3043} }

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