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Proceedings Paper

Influence of the concentration of O vacancy on electronic structure and conduction properties of V-doped anatase TiO2
Author(s): Chunmei Zhao; Guodong Liu; Qixin Wan; Lanli Chen; Zhihua Xiong
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Paper Abstract

The geometry, electronic structures and conduction properties of V-doped anatase TiO2 with O vacancy were investigated by using the plane-wave ultrasoft pseudopotential method based on the density functional theory(DFT). The calculated results show that the 3d state of V plays an important role in red-shift and the band gap will narrow after V doping in TiO2. Furthermore, it was also found that a certain concentration of O vacancy in V-doped TiO2 shows better electronic conductivity due to the increase of electronic concentration in the band gap. Our theoretical results are in good agreement with the experiment results.

Paper Details

Date Published: 25 November 2009
PDF: 8 pages
Proc. SPIE 7509, 2009 International Conference on Optical Instruments and Technology: Optoelectronic Devices and Integration, 75090E (25 November 2009); doi: 10.1117/12.838200
Show Author Affiliations
Chunmei Zhao, Jiangxi Science and Technology Normal Univ. (China)
Guodong Liu, Jiangxi Science and Technology Normal Univ. (China)
Qixin Wan, Jiangxi Science and Technology Normal Univ. (China)
Lanli Chen, Jiangxi Science and Technology Normal Univ. (China)
Zhihua Xiong, Jiangxi Science and Technology Normal Univ. (China)


Published in SPIE Proceedings Vol. 7509:
2009 International Conference on Optical Instruments and Technology: Optoelectronic Devices and Integration

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