Journal
APPLIED PHYSICS LETTERS
Volume 103, Issue 13, Pages -Publisher
AIP Publishing
DOI: 10.1063/1.4822270
Keywords
-
Categories
Funding
- R. A. Welch Foundation [F-1535]
- National Science Foundation [DMR-1122603]
Ask authors/readers for more resources
The monoclinic and tetragonal phases of bismuth vanadate (BiVO4) have been found to exhibit significantly different photocatalytic activities for water splitting. To assess a possible surface effect on the phase-dependent behavior, we calculate and compare the geometries and electronic structures of the monoclinic and tetragonal BiVO4 (001) surfaces using hybrid density functional theory. The relaxed atomic configurations of these two surfaces are found to be nearly identical, while an excess hole shows a relatively stronger tendency to localize at the surface than the bulk in both phases. Possible factors for the phase-dependent photocatalytic activity of BiVO4 are discussed. (C) 2013 AIP Publishing LLC.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available