Electronic Structure and Interface Energetics of CuBi2 O4 Photoelectrodes

The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
Freddy E OropezaJan P Hofmann

Abstract

CuBi2O4 exhibits significant potential for the photoelectrochemical (PEC) conversion of solar energy into chemical fuels, owing to its extended visible-light absorption and positive flat band potential vs the reversible hydrogen electrode. A detailed understanding of the fundamental electronic structure and its correlation with PEC activity is of significant importance to address limiting factors, such as poor charge carrier mobility and stability under PEC conditions. In this study, the electronic structure of CuBi2O4 has been studied by a combination of hard X-ray photoemission spectroscopy, resonant photoemission spectroscopy, and X-ray absorption spectroscopy (XAS) and compared with density functional theory (DFT) calculations. The photoemission study indicates that there is a strong Bi 6s-O 2p hybrid electronic state at 2.3 eV below the Fermi level, whereas the valence band maximum (VBM) has a predominant Cu 3d-O 2p hybrid character. XAS at the O K-edge supported by DFT calculations provides a good description of the conduction band, indicating that the conduction band minimum is composed of unoccupied Cu 3d-O 2p states. The combined experimental and theoretical results suggest that the low charge carrier mobility for CuBi...Continue Reading

References

Oct 15, 1994·Physical Review. B, Condensed Matter·A GoldoniA Revcolevschi
Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Nov 1, 1990·Physical Review. B, Condensed Matter·Z ShenW E Spicer
Aug 1, 1990·Physical Review. B, Condensed Matter·J GhijsenR L Johnson
Jul 22, 1991·Physical Review Letters·L H TjengF Sette
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Sep 27, 2013·Accounts of Chemical Research·Aron Walsh, Keith T Butler
Dec 2, 2015·The Journal of Physical Chemistry Letters·Ruo Xi YangAron Walsh
Jul 12, 2017·ACS Applied Materials & Interfaces·Kelvin H L ZhangMark G Blamire
Oct 3, 2017·Journal of the American Chemical Society·Fuxian WangSean P Berglund
Mar 2, 2019·Chemical Reviews·Philip SchulzAntoine Kahn

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Methods Mentioned

BETA
X-ray
hard

Software Mentioned

Vienna Ab initio Simulation Package ( VASP )
GALORE
MacroDensity

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