Acta Optica Sinica, Volume. 33, Issue 8, 816004(2013)

Effect of Red Shift in Rutile TiO2 Caused by Nonmetallic Impurity C, N, S Co-Doping

Tian Yun1、*, Feng Qing1,2, Din Shoubing1, Liu Tong1, Gao Jiemei1, and Wu Fang1
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  • 1[in Chinese]
  • 2[in Chinese]
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    Recently, through nonmetallic impurity doping rutile TiO2 to change its optical properties and expand the application in the fields of photocatalysis and photoelectric conversion is a hot research topic. The electronic properties and optical properties of rutile TiO2 super cell with nonmetallic impurity doped (including C,N,S,C-N,C-S,N-S) are calculated by plane wave pseudopotential method based on the density functional theory, such as the band structure, density of states, dielectric constant, absorption spectroscopy and reflection spectroscopy, etc. Nonmetallic elements doping makes TiO2 band gap decrease, and the absorption spectrum and reflection spectra exhibit red shift. To a certain extent, nonmetallic impurity doping improves the TiO2 utilization of visible light, but visible light utilization rate of co-doped TiO2 is higher than that of single-doped TiO2. The research results show that in the visible light high energy area from 400 nm to 575 nm, C-doped rutile TiO2 performs much better than others in absorptivity and reflectivity. In the visible light low energy area from 575 nm to 760 nm, absorptivity and reflectivity of N-doped rutile TiO2 are much better than others. Therefore, the visible light utilization in C-N co-doped TiO2 is better than those of other nonmetallic doped systems.

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    Tian Yun, Feng Qing, Din Shoubing, Liu Tong, Gao Jiemei, Wu Fang. Effect of Red Shift in Rutile TiO2 Caused by Nonmetallic Impurity C, N, S Co-Doping[J]. Acta Optica Sinica, 2013, 33(8): 816004

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    Paper Information

    Category: Materials

    Received: Apr. 1, 2013

    Accepted: --

    Published Online: Aug. 1, 2013

    The Author Email: Yun Tian (1403589370@qq.com)

    DOI:10.3788/aos201333.0816004

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