| Effect of carbon/hydrogen species incorporation on electronic structure of anatase-TiO2 | |
| Li, N.1,2; Yao, K. L.1,2,3; Li, L.1,2; Sun, Z. Y.1,2; Gao, G. Y.1,2; Zhu, L.1,2 | |
| Corresponding Author | Li, N.(lineng0724@163.com) |
| 2011-10-01 | |
| Source Publication | JOURNAL OF APPLIED PHYSICS
 |
| ISSN | 0021-8979 |
| Volume | 110Issue:7Pages:5 |
| Abstract | The energy band structure and optical properties of C-doped and C/H-codoped anatase TiO2 are investigated using the first-principles based on density-functional theory. The obtained results indicate that the structure of C/H-codoping is more stable than that of C-doping. For C-doped anatase TiO2, the band gap narrowing is small, and the high visible-light catalytic ability originates from the isolated C 2p states above the valence-band maximum. With the same carbon doping level, the C/H-codoping produces significant bandgap narrowing, which leads to higher visible-light photocatalytic efficiency than the C-doping does. (C) 2011 American Institute of Physics. [doi:10.1063/1.3646328] |
| Funding Organization | National Natural Science Foundation of China ; Doctoral Program of the Higher Education of China ; Natural Science Foundation of Hubei Province |
| DOI | 10.1063/1.3646328 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | National Natural Science Foundation of China[11074081] ; National Natural Science Foundation of China[10904043] ; National Natural Science Foundation of China[11004066] ; National Natural Science Foundation of China[10804034] ; Doctoral Program of the Higher Education of China[20090142110063] ; Natural Science Foundation of Hubei Province[2008CDB002] ; Natural Science Foundation of Hubei Province[2008CDB003] |
| WOS Research Area | Physics |
| WOS Subject | Physics, Applied |
| WOS ID | WOS:000295883000034 |
| Publisher | AMER INST PHYSICS |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/106883 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Li, N. |
| Affiliation | 1.Huazhong Univ Sci & Technol, Sch Phys, Wuhan 430074, Peoples R China 2.Huazhong Univ Sci & Technol, Wuhan Natl High Magnet Field Ctr, Wuhan 430074, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Peoples R China |
| Recommended Citation GB/T 7714 | Li, N.,Yao, K. L.,Li, L.,et al. Effect of carbon/hydrogen species incorporation on electronic structure of anatase-TiO2[J]. JOURNAL OF APPLIED PHYSICS,2011,110(7):5. |
| APA | Li, N.,Yao, K. L.,Li, L.,Sun, Z. Y.,Gao, G. Y.,&Zhu, L..(2011).Effect of carbon/hydrogen species incorporation on electronic structure of anatase-TiO2.JOURNAL OF APPLIED PHYSICS,110(7),5. |
| MLA | Li, N.,et al."Effect of carbon/hydrogen species incorporation on electronic structure of anatase-TiO2".JOURNAL OF APPLIED PHYSICS 110.7(2011):5. |
| Files in This Item: | There are no files associated with this item. | |||||
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment