Effect of carbon/hydrogen species incorporation on electronic structure of anatase-TiO2

doi:10.1063/1.3646328

IMR OpenIR

	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
通讯作者	Li, N.(lineng0724@163.com)
	2011-10-01
发表期刊	JOURNAL OF APPLIED PHYSICS
ISSN	0021-8979
卷号	110 期号:7 页码:5
摘要	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]
资助者	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
收录类别	SCI
语种	英语
资助项目	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研究方向	Physics
WOS类目	Physics, Applied
WOS记录号	WOS:000295883000034
出版者	AMER INST PHYSICS
引用统计	被引频次：14[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/106883
专题	中国科学院金属研究所
通讯作者	Li, N.
作者单位	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
推荐引用方式 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.