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Origin of visible-light-induced photocatalytic properties of S-doped anatase TiO2 by first-principles investigation
Cui, Ying1,2; Du, Hao1; Wen, Lishi1
Corresponding AuthorWen, Lishi(lswen@imr.ac.cn)
2009-04-01
Source PublicationSOLID STATE COMMUNICATIONS
ISSN0038-1098
Volume149Issue:15-16Pages:634-637
AbstractElectronic 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.
KeywordS-doped TiO2 Electronic structure Optical properties
DOI10.1016/j.ssc.2009.01.021
Indexed BySCI
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Condensed Matter
WOS IDWOS:000264942200014
PublisherPERGAMON-ELSEVIER SCIENCE LTD
Citation statistics
Cited Times:32[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/95893
Collection中国科学院金属研究所
Corresponding AuthorWen, Lishi
Affiliation1.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
Recommended Citation
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.
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