Origin of visible-light-induced photocatalytic properties of S-doped anatase TiO2 by first-principles investigation

doi:10.1016/j.ssc.2009.01.021

IMR OpenIR

	Origin of visible-light-induced photocatalytic properties of S-doped anatase TiO2 by first-principles investigation
	Cui, Ying 1,2; Du, Hao 1; Wen, Lishi 1
通讯作者	Wen, Lishi(lswen@imr.ac.cn)
	2009-04-01
发表期刊	SOLID STATE COMMUNICATIONS
ISSN	0038-1098
卷号	149 期号:15-16 页码:634-637
摘要	Electronic structures and optical absorption spectra of S-doped anatase TiO2 are calculated by means of the first-principles pseudopotential total energy method. Electronic structure analyses demonstrate that isolated S 3p states which appear on the upper edge of the valence band cause the narrowing of the band gap of S-doped TiO2. These changes of electronic structure exert great influence on the optical responses of S-doped TiO2. Our results are in line with recent experimental observations that the redshift of optical absorption could be attributed to these isolated S 3p states on the upper edge of the valence band of S-doped TiO2. (C) 2009 Elsevier Ltd. All rights reserved.
关键词	S-doped TiO2 Electronic structure Optical properties
DOI	10.1016/j.ssc.2009.01.021
收录类别	SCI
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
WOS记录号	WOS:000264942200014
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：35[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/95893
专题	中国科学院金属研究所
通讯作者	Wen, Lishi
作者单位	1.Chinese Acad Sci, Inst Met Res, Div Surface Engn Mat, Shenyang 110016, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China
推荐引用方式 GB/T 7714	Cui, Ying,Du, Hao,Wen, Lishi. Origin of visible-light-induced photocatalytic properties of S-doped anatase TiO2 by first-principles investigation[J]. SOLID STATE COMMUNICATIONS,2009,149(15-16):634-637.
APA	Cui, Ying,Du, Hao,&Wen, Lishi.(2009).Origin of visible-light-induced photocatalytic properties of S-doped anatase TiO2 by first-principles investigation.SOLID STATE COMMUNICATIONS,149(15-16),634-637.
MLA	Cui, Ying,et al."Origin of visible-light-induced photocatalytic properties of S-doped anatase TiO2 by first-principles investigation".SOLID STATE COMMUNICATIONS 149.15-16(2009):634-637.