@article{aacf51aef8df410bbb3e8e49007257d7,
title = "The nature of electron lone pairs in BiVO4",
abstract = "The electronic structure of BiVO4 has been studied by x-ray photoelectron, x-ray absorption, and x-ray emission spectroscopies, in comparison with density functional theory calculations. Our results confirm both the direct band gap of 2.48 eV and that the Bi 6s electrons hybridize with O 2p to form antibonding {"}lone pair{"} states at the top of the valence band. The results highlight the suitability of combining s2 and d0 cations to produce photoactive ternary oxides.",
author = "Payne, {D. J.} and Robinson, {M. D.M.} and Egdell, {R. G.} and A. Walsh and J. McNulty and Smith, {K. E.} and Piper, {L. F.J.}",
note = "Funding Information: The NSLS is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. D.J.P. acknowledges the support by the U.K. Royal Society (Research Grant No. RG080399) and the award of a Junior Research Fellowship by Christ Church, University of Oxford. L.F.J.P. acknowledges support from the Faculty/Student Research Support Program at the NSLS, and start-up funds from Binghamton University. The Boston University program is supported in part by the Department of Energy under Contract No. DE-FG02-98ER45680. The NCESS facility at Daresbury Laboratory is supported by EPSRC under Grant No. EP-E025722-1.",
year = "2011",
month = may,
day = "23",
doi = "10.1063/1.3593012",
language = "English",
volume = "98",
journal = "Applied Physics Letters",
issn = "0003-6951",
publisher = "American Institute of Physics",
number = "21",
}