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

Suram, Santosh K.; Zhou, Lan; Shinde, Aniketa; Yan, Qimin; Yu, Jie; Umehara, Mitsutaro; Stein, Helge S.; Neaton, Jeffrey B.; Gregoire, John M.

doi:10.1039/C7CC08002F

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

Journal Article · Tue Apr 10 00:00:00 EDT 2018 · ChemComm

DOI:https://doi.org/10.1039/C7CC08002F· OSTI ID:1544294

Suram, Santosh K. ^[1]; Zhou, Lan ^[1]; Shinde, Aniketa ^[1]; Yan, Qimin ^[2]; Yu, Jie ^[2];

^[3];

^[1]; Neaton, Jeffrey B. ^[4];

^[1]

California Inst. of Technology (CalTech), Pasadena, CA (United States). Joint Center for Artificial Photosynthesis (JCAP)
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)
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)
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)

Combinatorial (photo)electrochemical studies of the (Ni–Mn)O_x 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.

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Research Organization:: 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 Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0004993

OSTI ID:: 1544294

Alternate ID(s):: OSTI ID: 1434171

Journal Information:: ChemComm, Vol. 54, Issue 36; ISSN 1359-7345

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 1 work

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