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Title: Alkaline-stable nickel manganese oxides with ideal band gap for solar fuel photoanodes

Abstract

Combinatorial (photo)electrochemical studies of the (Ni–Mn)Ox system reveal a range of promising materials for oxygen evolution photoanodes. X-ray diffraction, quantum efficiency, and optical spectroscopy mapping reveal stable photoactivity of NiMnO3 in alkaline conditions with photocurrent onset commensurate with its 1.9 eV direct band gap. The photoactivity increases upon mixture with 10–60% Ni6MnO8 providing an example of enhanced charge separation via heterojunction formation in mixed-phase thin film photoelectrodes. Further, density functional theory-based hybrid functional calculations of the band edge energies in this oxide reveal that a somewhat smaller than typical fraction of exact exchange is required to explain the favorable valence band alignment for water oxidation.

Authors:
 [1];  [1];  [1];  [2];  [2]; ORCiD logo [3]; ORCiD logo [1];  [4]; ORCiD logo [1]
  1. California Inst. of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP)
  2. Temple Univ., Philadelphia, PA (United States); California Inst. of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
  3. California Inst. of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP); Toyota Research Inst. of North America, Ann Arbor, MI (United States)
  4. California Inst. of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); California Institute of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1544294
Alternate Identifier(s):
OSTI ID: 1434171
Grant/Contract Number:  
SC0004993
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
ChemComm
Additional Journal Information:
Journal Volume: 54; Journal Issue: 36; Journal ID: ISSN 1359-7345
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Suram, Santosh K., Zhou, Lan, Shinde, Aniketa, Yan, Qimin, Yu, Jie, Umehara, Mitsutaro, Stein, Helge S., Neaton, Jeffrey B., and Gregoire, John M. Alkaline-stable nickel manganese oxides with ideal band gap for solar fuel photoanodes. United States: N. p., 2018. Web. doi:10.1039/C7CC08002F.
Suram, Santosh K., Zhou, Lan, Shinde, Aniketa, Yan, Qimin, Yu, Jie, Umehara, Mitsutaro, Stein, Helge S., Neaton, Jeffrey B., & Gregoire, John M. Alkaline-stable nickel manganese oxides with ideal band gap for solar fuel photoanodes. United States. https://doi.org/10.1039/C7CC08002F
Suram, Santosh K., Zhou, Lan, Shinde, Aniketa, Yan, Qimin, Yu, Jie, Umehara, Mitsutaro, Stein, Helge S., Neaton, Jeffrey B., and Gregoire, John M. 2018. "Alkaline-stable nickel manganese oxides with ideal band gap for solar fuel photoanodes". United States. https://doi.org/10.1039/C7CC08002F. https://www.osti.gov/servlets/purl/1544294.
@article{osti_1544294,
title = {Alkaline-stable nickel manganese oxides with ideal band gap for solar fuel photoanodes},
author = {Suram, Santosh K. and Zhou, Lan and Shinde, Aniketa and Yan, Qimin and Yu, Jie and Umehara, Mitsutaro and Stein, Helge S. and Neaton, Jeffrey B. and Gregoire, John M.},
abstractNote = {Combinatorial (photo)electrochemical studies of the (Ni–Mn)Ox system reveal a range of promising materials for oxygen evolution photoanodes. X-ray diffraction, quantum efficiency, and optical spectroscopy mapping reveal stable photoactivity of NiMnO3 in alkaline conditions with photocurrent onset commensurate with its 1.9 eV direct band gap. The photoactivity increases upon mixture with 10–60% Ni6MnO8 providing an example of enhanced charge separation via heterojunction formation in mixed-phase thin film photoelectrodes. Further, density functional theory-based hybrid functional calculations of the band edge energies in this oxide reveal that a somewhat smaller than typical fraction of exact exchange is required to explain the favorable valence band alignment for water oxidation.},
doi = {10.1039/C7CC08002F},
url = {https://www.osti.gov/biblio/1544294}, journal = {ChemComm},
issn = {1359-7345},
number = 36,
volume = 54,
place = {United States},
year = {Tue Apr 10 00:00:00 EDT 2018},
month = {Tue Apr 10 00:00:00 EDT 2018}
}

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