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- Title
Band Gap Modulation of Tantalum(V) Perovskite Semiconductors by Anion Control.
- Authors
Kim, Young-Il; Woodward, Patrick M.
- Abstract
Band gap magnitudes and valence band energies of Ta5+ containing simple perovskites (BaTaO2N, SrTaO2N, CaTaO2N, KTaO3, NaTaO3, and TaO2F) were studied by diffuse reflection absorbance measurements, density-functional theoretical calculations, and X-ray photoelectron spectroscopy. As a universal trend, the oxynitrides have wider valence bands and narrower band gaps than isostructural oxides, owing to the N 2p contribution to the electronic structure. Visible light-driven water splitting was achieved by using Pt-loaded CaTaO2N, together with a sacrificial agent CH3OH.
- Subjects
VALENCE bands; PEROVSKITE; X-ray photoelectron spectroscopy; TANTALUM; ELECTRONIC structure
- Publication
Catalysts (2073-4344), 2019, Vol 9, Issue 2, p161
- ISSN
2073-4344
- Publication type
Article
- DOI
10.3390/catal9020161