Origin of visible-light-induced photocatalytic properties of S-doped anatase TiO(2) by first-principles investigation
文献类型：期刊论文
| 作者 | Y. Cui ; H. Du ; L. S. Wen |
| 刊名 | Solid State Communications
 |
| 出版日期 | 2009 |
| 卷号 | 149期号:15-16页码:634-637 |
| 关键词 | S-doped TiO(2) Electronic structure Optical properties titanium-dioxide electronic-structure organic pollutants femtosecond irradiation degradation dynamics powders gap |
| ISSN号 | 0038-1098 |
| 中文摘要 | Electronic structures and optical absorption spectra of S-doped anatase TiO(2) 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 TiO(2). These changes of electronic structure exert great influence on the optical responses of S-doped TiO(2). 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 TiO(2). (C) 2009 Elsevier Ltd. All rights reserved. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/31861]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | Y. Cui,H. Du,L. S. Wen. Origin of visible-light-induced photocatalytic properties of S-doped anatase TiO(2) by first-principles investigation[J]. Solid State Communications,2009,149(15-16):634-637. |
| APA | Y. Cui,H. Du,&L. S. Wen.(2009).Origin of visible-light-induced photocatalytic properties of S-doped anatase TiO(2) by first-principles investigation.Solid State Communications,149(15-16),634-637. |
| MLA | Y. Cui,et al."Origin of visible-light-induced photocatalytic properties of S-doped anatase TiO(2) 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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