| Origin of visible-light-induced photocatalytic properties of S-doped anatase TiO2 by first-principles investigation | |
| Cui, Ying1,2; Du, Hao1; Wen, Lishi1 | |
| Corresponding Author | Wen, Lishi(lswen@imr.ac.cn) |
| 2009-04-01 | |
| Source Publication | SOLID STATE COMMUNICATIONS
 |
| ISSN | 0038-1098 |
| Volume | 149Issue:15-16Pages:634-637 |
| Abstract | 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. |
| Keyword | S-doped TiO2 Electronic structure Optical properties |
| DOI | 10.1016/j.ssc.2009.01.021 |
| Indexed By | SCI |
| Language | 英语 |
| WOS Research Area | Physics |
| WOS Subject | Physics, Condensed Matter |
| WOS ID | WOS:000264942200014 |
| Publisher | PERGAMON-ELSEVIER SCIENCE LTD |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/95893 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Wen, Lishi |
| Affiliation | 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 |
| 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. |
| Files in This Item: | There are no files associated with this item. | |||||
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment