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关键词 | TITANIUM-DIOXIDE ; ELECTRONIC-STRUCTURE ; ORGANIC POLLUTANTS ; FEMTOSECOND ; IRRADIATION ; DEGRADATION ; DYNAMICS ; POWDERS ; GAP |
| WOS研究方向 | Physics |
| WOS类目 | Physics, Condensed Matter |
| 语种 | 英语 |
| WOS记录号 | WOS:000264942200014 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2394038 |
| 专题 | 中国科学院大学 |
| 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. |
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来源：中国科学院大学
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