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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 AuthorLi, N.(lineng0724@163.com)
2011-10-01
Source PublicationJOURNAL OF APPLIED PHYSICS
ISSN0021-8979
Volume110Issue:7Pages:5
AbstractThe 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 OrganizationNational Natural Science Foundation of China ; Doctoral Program of the Higher Education of China ; Natural Science Foundation of Hubei Province
DOI10.1063/1.3646328
Indexed BySCI
Language英语
Funding ProjectNational 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 AreaPhysics
WOS SubjectPhysics, Applied
WOS IDWOS:000295883000034
PublisherAMER INST PHYSICS
Citation statistics
Cited Times:13[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/106883
Collection中国科学院金属研究所
Corresponding AuthorLi, N.
Affiliation1.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.
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