Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 17, Issue 12, Pages 8166-8171Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c4cp04931d
Keywords
-
Funding
- National Basic Research Program of China (973 Program) [2013CB632404]
- Priority Academic Program Development of Jiangsu Higher Education Institutions
- New Century Excellent Talents in University [NCET-12-0268]
- National Natural Science Foundation of China [51272102, 51141002]
- Natural Science Foundation of Jiangsu Province of China [BK20131373]
Ask authors/readers for more resources
The Ta3N5 semiconductor photocatalyst possesses a 720 nm (about 1.72 eV) sub-band-gap optical absorption but the mechanism of this optical absorption is still controversial. In this study, the hybrid density functional theory calculations are performed to unravel the mechanism of 720 nm sub-band-gap optical absorption of Ta3N5. By studying the possible optical absorption initiated by the ON impurity and the V-N defect, we find that the 720 nm sub-band-gap optical absorption of Ta3N5 may be ascribed to the electron transition from V-N(center dot) to V-N(center dot center dot center dot). In addition, we propose that the 720 nm sub-band-gap optical absorption can be used to qualitatively evaluate the photocatalytic water splitting ability of Ta3N5.
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