Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode

Paul F. Newhouse, Sebastian E. Reyes-Lillo, Guo Li, Lan Zhou, Aniketa Shinde, Dan Guevarra, Santosh K. Suram, Edwin Soedarmadji, Matthias H. Richter, Xiaohui Qu, Kristin Persson, Jeffrey B. Neaton, John M. Gregoire

Resultado de la investigación: Article

4 Citas (Scopus)

Resumen

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. 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.

Idioma originalEnglish
Páginas (desde-hasta)10027-10036
Número de páginas10
PublicaciónChemistry of Materials
Volumen29
N.º23
DOI
EstadoPublished - 12 dic 2017

Huella dactilar

Bismuth
Oxides
Oxygen
Mullite
Optical band gaps
Chemical properties
Electrolytes
Density functional theory
Hydrogen
Screening
Energy gap
Carbon
Optical properties
Throughput
Semiconductor materials
Water

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

Citar esto

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. En: Chemistry of Materials. 2017 ; Vol. 29, N.º 23. pp. 10027-10036.
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title = "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. 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.",
author = "Newhouse, {Paul F.} and Reyes-Lillo, {Sebastian E.} and Guo Li and Lan Zhou and Aniketa Shinde and Dan Guevarra and Suram, {Santosh K.} and Edwin Soedarmadji and Richter, {Matthias H.} and Xiaohui Qu and Kristin Persson and Neaton, {Jeffrey B.} and Gregoire, {John M.}",
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Newhouse, PF, Reyes-Lillo, SE, Li, G, Zhou, L, Shinde, A, Guevarra, D, Suram, SK, Soedarmadji, E, Richter, MH, Qu, X, Persson, K, Neaton, JB & Gregoire, JM 2017, 'Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode', Chemistry of Materials, vol. 29, n.º 23, pp. 10027-10036. https://doi.org/10.1021/acs.chemmater.7b03591

Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode. / 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.

En: Chemistry of Materials, Vol. 29, N.º 23, 12.12.2017, p. 10027-10036.

Resultado de la investigación: Article

TY - JOUR

T1 - Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode

AU - Newhouse, Paul F.

AU - Reyes-Lillo, Sebastian E.

AU - Li, Guo

AU - Zhou, Lan

AU - Shinde, Aniketa

AU - Guevarra, Dan

AU - Suram, Santosh K.

AU - Soedarmadji, Edwin

AU - Richter, Matthias H.

AU - Qu, Xiaohui

AU - Persson, Kristin

AU - Neaton, Jeffrey B.

AU - Gregoire, John M.

PY - 2017/12/12

Y1 - 2017/12/12

N2 - 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. 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.

AB - 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. 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.

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U2 - 10.1021/acs.chemmater.7b03591

DO - 10.1021/acs.chemmater.7b03591

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JO - Chemistry of Materials

JF - Chemistry of Materials

SN - 0897-4756

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