The nature of electron lone pairs in BiVO4

2011/05/23 by David J. Payne, D. J. Payne, M. D. M. Robinson +11 · 2 citations
Energy · Engineering · Materials Science · #Advanced Photocatalysis Techniques #Gas Sensing Nanomaterials and Sensors #Catalytic Processes in Materials Science

paper · pdf · doi:10.1063/1.3593012

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.

Citations

• A Novel Aqueous Process for Preparation of Crystal Form-Controlled and Highly Crystalline BiVO4 Powder from Layered Vanadates at Room Temperature and Its Photocatalytic and Photophysical Properties

Cited by

• Electronic Structure and Interface Energetics of CuBi 2 O 4 Photoelectrodes. [europepmc]
• Sub-Bandgap Photon-to-Current Conversion in Bismuth Vanadate Photoanodes and Its Impact on the Maximum Photocurrent Density Achievable for Water Splitting. [europepmc]

Related

• The role of the isolated 6s states in BiVO4 on the electronic and atomic structures
• Ultrafast light-induced formation of a metastable hidden state in bismuth vanadate
• Quasi-Large Hole Polarons in BiVO4-Implications for Photocatalysis and Solar Energy Conversion
• Density functional theory study of the structural, electronic, and surface reaction properties of bismuth vanady1 oxyhalide BiVO3F
• Spontaneous Oxygen Vacancy Ionization Enhances Water Oxidation on BiVO₄