Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode
Abstract
Solar-driven oxygen evolution is a critical technology for renewably synthesizing hydrogen- and carbon-containing fuels in solar fuel generators. New photoanode materials are needed to meet efficiency and stability requirements, motivating materials explorations for semiconductors with (i) band-gap energy in the visible spectrum and (ii) stable operation in aqueous electrolyte at the electrochemical potential needed to evolve oxygen from water. Motivated by the oxygen evolution competency of many Mn-based oxides, the existence of several Bi-containing ternary oxide photoanode materials, and the variety of known oxide materials combining these elements with Sm, we explore the Bi-Mn-Sm oxide system for new photoanodes. Through the use of a ferri/ferrocyanide redox couple in high-throughput screening, BiMn2O5 and its alloy with Sm are identified as photoanode materials with a near-ideal optical band gap of 1.8 eV. Using density functional theory-based calculations of the mullite Bi3+ Mn3+ Mn4+O5 phase, we identify electronic analogues to the well-known BiVO4 photoanode and demonstrate excellent Pourbaix stability above the oxygen evolution Nernstian potential from pH 4.5 to 15. Lastly, our suite of experimental and computational characterization indicates that BiMn2O5 is a complex oxide with the necessary optical and chemical properties to be an efficient, stable solar fuel photoanode.
- Authors:
-
[1];
[1]
- California Inst. of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Joint Center for Artificial Photosynthesis; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry; Univ. of California, Berkeley, CA (United States). Dept. of Physics
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Energy Technologies Area; Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Joint Center for Artificial Photosynthesis; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Energy Technologies Area; Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Joint Center for Artificial Photosynthesis; 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:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1432233
- Grant/Contract Number:
- AC02-05CH11231; SC0004993; AC02-76SF00515
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Chemistry of Materials
- Additional Journal Information:
- Journal Volume: 29; Journal Issue: 23; Related Information: © 2017 American Chemical Society.; Journal ID: ISSN 0897-4756
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 14 SOLAR ENERGY
Citation Formats
Newhouse, Paul F., Reyes-Lillo, Sebastian E., Li, Guo, Zhou, Lan, Shinde, Aniketa, Guevarra, Dan, Suram, Santosh K., Soedarmadji, Edwin, Richter, Matthias H., Qu, Xiaohui, Persson, Kristin, Neaton, Jeffrey B., and Gregoire, John M. Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode. United States: N. p., 2017.
Web. doi:10.1021/acs.chemmater.7b03591.
Newhouse, Paul F., Reyes-Lillo, Sebastian E., Li, Guo, Zhou, Lan, Shinde, Aniketa, Guevarra, Dan, Suram, Santosh K., Soedarmadji, Edwin, Richter, Matthias H., Qu, Xiaohui, Persson, Kristin, Neaton, Jeffrey B., & Gregoire, John M. Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode. United States. https://doi.org/10.1021/acs.chemmater.7b03591
Newhouse, Paul F., Reyes-Lillo, Sebastian E., Li, Guo, Zhou, Lan, Shinde, Aniketa, Guevarra, Dan, Suram, Santosh K., Soedarmadji, Edwin, Richter, Matthias H., Qu, Xiaohui, Persson, Kristin, Neaton, Jeffrey B., and Gregoire, John M. Mon .
"Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode". United States. https://doi.org/10.1021/acs.chemmater.7b03591. https://www.osti.gov/servlets/purl/1432233.
@article{osti_1432233,
title = {Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode},
author = {Newhouse, Paul F. and Reyes-Lillo, Sebastian E. and Li, Guo and Zhou, Lan and Shinde, Aniketa and Guevarra, Dan and Suram, Santosh K. and Soedarmadji, Edwin and Richter, Matthias H. and Qu, Xiaohui and Persson, Kristin and Neaton, Jeffrey B. and Gregoire, John M.},
abstractNote = {Solar-driven oxygen evolution is a critical technology for renewably synthesizing hydrogen- and carbon-containing fuels in solar fuel generators. New photoanode materials are needed to meet efficiency and stability requirements, motivating materials explorations for semiconductors with (i) band-gap energy in the visible spectrum and (ii) stable operation in aqueous electrolyte at the electrochemical potential needed to evolve oxygen from water. Motivated by the oxygen evolution competency of many Mn-based oxides, the existence of several Bi-containing ternary oxide photoanode materials, and the variety of known oxide materials combining these elements with Sm, we explore the Bi-Mn-Sm oxide system for new photoanodes. Through the use of a ferri/ferrocyanide redox couple in high-throughput screening, BiMn2O5 and its alloy with Sm are identified as photoanode materials with a near-ideal optical band gap of 1.8 eV. Using density functional theory-based calculations of the mullite Bi3+ Mn3+ Mn4+O5 phase, we identify electronic analogues to the well-known BiVO4 photoanode and demonstrate excellent Pourbaix stability above the oxygen evolution Nernstian potential from pH 4.5 to 15. Lastly, our suite of experimental and computational characterization indicates that BiMn2O5 is a complex oxide with the necessary optical and chemical properties to be an efficient, stable solar fuel photoanode.},
doi = {10.1021/acs.chemmater.7b03591},
journal = {Chemistry of Materials},
number = 23,
volume = 29,
place = {United States},
year = {Mon Nov 13 00:00:00 EST 2017},
month = {Mon Nov 13 00:00:00 EST 2017}
}
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