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Mn_2V_2O_7: An Earth Abundant Light Absorber for Solar Water Splitting

Yan, Qimin and Li, Guo and Newhouse, Paul F. and Yu, Jie and Persson, Kristin A. and Gregoire, John M. and Neaton, Jeffrey B. (2015) Mn_2V_2O_7: An Earth Abundant Light Absorber for Solar Water Splitting. Advanced Energy Materials, 5 (8). Art. No. 1401840 . ISSN 1614-6832. doi:10.1002/aenm.201401840.

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Complex oxide β-Mn_2V_2O_7 is identified as exhibiting near-optimal band energetics for solar fuel applications among known metal oxides. Experiments, corroborated by theory, indicate a bandgap near 1.8 eV. The calculations predict that β-Mn_2V_2O_7 has well-aligned band edge energies for the hydrogen evolution reaction and oxygen evolution reaction. Photoelectrochemical measurements indicate appreciable photocurrent, corroborating the predictions.

Item Type:Article
Related URLs:
URLURL TypeDescription Information
Newhouse, Paul F.0000-0003-2032-3010
Persson, Kristin A.0000-0003-2495-5509
Gregoire, John M.0000-0002-2863-5265
Neaton, Jeffrey B.0000-0001-7585-6135
Additional Information:© 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. Received: October 17, 2014; Revised: November 27, 2014; Published online: January 21, 2015. 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. Experimental work was 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). 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. Computational resources also provided by the Department of Energy through the National Energy Supercomputing Center. The authors thank Dan Guevarra and Aniketa Shinde for assistance with acquisition of the photocurrent data and Chengxiang Xiang, Slobodan Mitrovic and Joel Haber for helpful discussions.
Funding AgencyGrant Number
Department of Energy (DOE)DE-AC02–05CH11231
Subject Keywords:band structure; metal oxide; Mn2V2O7; photocatalysts; solar water splitting; density functional theory
Issue or Number:8
Record Number:CaltechAUTHORS:20150519-092604842
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Official Citation:Yan Q., Li G., Newhouse P. F., Yu J., Persson K. A., Gregoire J. M., Neaton J. B. (2015). Mn2V2O7: An Earth Abundant Light Absorber for Solar Water Splitting. Adv. Energy Mater., 5: . doi: 10.1002/aenm.201401840
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:57643
Deposited On:19 May 2015 18:54
Last Modified:10 Nov 2021 21:53

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