Effect of carbon/hydrogen species incorporation on electronic structure of anatase-TiO(2)

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	Effect of carbon/hydrogen species incorporation on electronic structure of anatase-TiO(2)
	N. Li; K. L. Yao; L. Li; Z. Y. Sun; G. Y. Gao; L. Zhu
	2011
发表期刊	Journal of Applied Physics
ISSN	0021-8979
卷号	110 期号:7
摘要	The energy band structure and optical properties of C-doped and C/H-codoped anatase TiO(2) 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 TiO(2), 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]
部门归属	[li, n.; yao, k. l.; li, l.; sun, z. y.; gao, g. y.; zhu, l.] huazhong univ sci & technol, sch phys, wuhan 430074, peoples r china. [li, n.; yao, k. l.; li, l.; sun, z. y.; gao, g. y.; zhu, l.] huazhong univ sci & technol, wuhan natl high magnet field ctr, wuhan 430074, peoples r china. [yao, k. l.] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;li, n (reprint author), huazhong univ sci & technol, sch phys, wuhan 430074, peoples r china;lineng0724@163.com
关键词	Generalized Gradient Approximation Visible-light Photocatalysis Doped Tio2
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/30478
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	N. Li,K. L. Yao,L. Li,et al. Effect of carbon/hydrogen species incorporation on electronic structure of anatase-TiO(2)[J]. Journal of Applied Physics,2011,110(7).
APA	N. Li,K. L. Yao,L. Li,Z. Y. Sun,G. Y. Gao,&L. Zhu.(2011).Effect of carbon/hydrogen species incorporation on electronic structure of anatase-TiO(2).Journal of Applied Physics,110(7).
MLA	N. Li,et al."Effect of carbon/hydrogen species incorporation on electronic structure of anatase-TiO(2)".Journal of Applied Physics 110.7(2011).