完整後設資料紀錄
DC 欄位 | 值 | 語言 |
---|---|---|
dc.contributor.author | Lin, Yanming | en_US |
dc.contributor.author | Jiang, Zhenyi | en_US |
dc.contributor.author | Zhang, Ruiqin | en_US |
dc.contributor.author | Zhu, Chaoyuan | en_US |
dc.contributor.author | Hu, Xiaoyun | en_US |
dc.contributor.author | Zhang, Xiaodong | en_US |
dc.contributor.author | Zhu, Haiyan | en_US |
dc.date.accessioned | 2014-12-08T15:35:14Z | - |
dc.date.available | 2014-12-08T15:35:14Z | - |
dc.date.issued | 2014-01-01 | en_US |
dc.identifier.issn | 0021-9517 | en_US |
dc.identifier.uri | http://dx.doi.org/10.1016/j.jcat.2013.07.016 | en_US |
dc.identifier.uri | http://hdl.handle.net/11536/23874 | - |
dc.description.abstract | The geometrical, electronic, and optical properties of Sm-doped, N-doped, and (Sm,N)-codoped anatase TiO2 were successfully calculated and simulated using the spin-polarized density functional theory. The researches of geometrical structures show that (Sm,N) codoping leads to lattice distortion, which reduces the recombination of the photogenerated electron-hole pairs. Moreover, the calculated results indicate that the synergistic effects of (Sm,N) codoping can lead to an obvious band gap narrowing and a N 2p state appearing in the forbidden gap, which leads to a significant redshift of the optical absorption edge and enhances the photocatalytic activity of the (Sm,N)-codoped anatase TiO2. (C) 2013 Elsevier Inc. All rights reserved. | en_US |
dc.language.iso | en_US | en_US |
dc.subject | TiO2 | en_US |
dc.subject | Codoping | en_US |
dc.subject | Visible-light photocatalyst | en_US |
dc.subject | Density functional theory | en_US |
dc.title | The structure, electronic, and optical properties of (Sm,N)-codoped anatase TiO2 photocatalyst: A density functional study | en_US |
dc.type | Article | en_US |
dc.identifier.doi | 10.1016/j.jcat.2013.07.016 | en_US |
dc.identifier.journal | JOURNAL OF CATALYSIS | en_US |
dc.citation.volume | 309 | en_US |
dc.citation.issue | en_US | |
dc.citation.spage | 115 | en_US |
dc.citation.epage | 120 | en_US |
dc.contributor.department | 應用化學系分子科學碩博班 | zh_TW |
dc.contributor.department | Institute of Molecular science | en_US |
dc.identifier.wosnumber | WOS:000330815400014 | - |
dc.citation.woscount | 3 | - |
顯示於類別: | 期刊論文 |