Origin of visible-light-induced photocatalytic properties of S-doped anatase TiO2 by first-principles investigation
文献类型：期刊论文
| 作者 | Cui, Ying1,2; Du, Hao1; Wen, Lishi1 |
| 刊名 | SOLID STATE COMMUNICATIONS
 |
| 出版日期 | 2009-04-01 |
| 卷号 | 149期号:15-16页码:634-637 |
| 关键词 | S-doped TiO2 Electronic structure Optical properties |
| ISSN号 | 0038-1098 |
| DOI | 10.1016/j.ssc.2009.01.021 |
| 通讯作者 | Wen, Lishi(lswen@imr.ac.cn) |
| 英文摘要 | 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. |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000264942200014 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 源URL | [http://ir.imr.ac.cn/handle/321006/95892]  |
| 专题 | 金属研究所_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. |
入库方式： OAI收割
来源：金属研究所
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