First-principles study of the electronic and optical properties of the (Y, N)-codoped anatase TiO2 photocatalyst
文献类型：期刊论文
| 作者 | Lin Yan-Ming1; Jiang Zhen-Yi1; Hu Xiao-Yun2; Zhang Xiao-Dong1; Fan Jun3; Miao Hui2; Shang Yi-Bo2 |
| 刊名 | CHINESE PHYSICS B
 |
| 出版日期 | 2012-03-01 |
| 卷号 | 21 |
| 关键词 | Tio2 Codoping Visible-light Photocatalyst First-principles Calculation |
| ISSN号 | 1674-1056 |
| DOI | 10.1088/1674-1056/21/3/033103 |
| 文献子类 | Article |
| 英文摘要 | First-principles plane-wave pseudopotential calculations are performed to study the geometrical structures, formation energies, and electronic and optical properties of Y-doped, N-doped, and (Y, N)-codoped TiO2. The calculated results show that Y and N codoping leads to lattice distortion, easier separation of photogenerated electron-hole pairs and band gap narrowing. The optical absorption spectra indicate that an obvious red-shift occurs upon Y and N codoping, which enhances visible-light photocatalytic activity. |
| WOS关键词 | SI-DOPED TIO2 ; TITANIUM-DIOXIDE ; CODOPED TIO2 ; NITROGEN ; SURFACES ; NO |
| 语种 | 英语 |
| WOS记录号 | WOS:000301341400027 |
| 出版者 | IOP PUBLISHING LTD |
| 源URL | [http://119.78.100.186/handle/113462/47752]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Jiang Zhen-Yi |
| 作者单位 | 1.NW Univ Xian, Inst Modern Phys, Xian 710069, Peoples R China 2.NW Univ Xian, Dept Phys, Xian 710069, Peoples R China 3.NW Univ Xian, Sch Chem Engn, Xian 710069, Peoples R China |
| 推荐引用方式 GB/T 7714 | Lin Yan-Ming,Jiang Zhen-Yi,Hu Xiao-Yun,et al. First-principles study of the electronic and optical properties of the (Y, N)-codoped anatase TiO2 photocatalyst[J]. CHINESE PHYSICS B,2012,21. |
| APA | Lin Yan-Ming.,Jiang Zhen-Yi.,Hu Xiao-Yun.,Zhang Xiao-Dong.,Fan Jun.,...&Shang Yi-Bo.(2012).First-principles study of the electronic and optical properties of the (Y, N)-codoped anatase TiO2 photocatalyst.CHINESE PHYSICS B,21. |
| MLA | Lin Yan-Ming,et al."First-principles study of the electronic and optical properties of the (Y, N)-codoped anatase TiO2 photocatalyst".CHINESE PHYSICS B 21(2012). |
入库方式： OAI收割
来源：近代物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。