標題: Electronic and optical performances of Si and Fe-codoped TiO2 nanoparticles: A photocatalyst for the degradation of methylene blue
作者: Lin, Yanming
Jiang, Zhenyi
Zhu, Chaoyuan
Hu, Xiaoyun
Zhang, Xiaodong
Zhu, Haiyan
Fan, Jun
Lin, Sheng Hsien
應用化學系分子科學碩博班
Institute of Molecular science
關鍵字: TiO2;Codoping;Visible-light photocatalyst;Density functional theory
公開日期: 1-Oct-2013
摘要: The effect of substitutional Si, Fe, and Si and Fe (co)doping on the electronic structure and optical properties of anatase and rutile TiO2 have been investigated by the density functional theory. The calculated results indicate that Si doping TiO2 will induce an obvious band gap narrowing by mixing O 2p with Si 3p states, and a series of impurity energy levels (Fe 3d) appear in edge of the VB and the CB through Fe doping. The synergistic effects of Si and Fe codoping can extend optical absorption edge, which leads to higher visible-light photocatalytic activities than pure and monodoped anatase TiO2. Si and Fe-codoped TiO2 nanoparticles was prepared by a sol-gel-solvothermal method, and the photocatalytic activity of TiO2 nanoparticles was examined by measuring the rate of methylene blue decomposition. The experimental results show that Si and Fe-codoped TiO2 sample exhibits better optical absorption performance and higher photocatalytic activities for the degradation of methylene blue than pure and monodoped TiO2, which verifies the reliability of our calculated results. (c) 2013 Elsevier B.V. All rights reserved.
URI: http://dx.doi.org/10.1016/j.apcatb.2013.04.061
http://hdl.handle.net/11536/22739
ISSN: 0926-3373
DOI: 10.1016/j.apcatb.2013.04.061
期刊: APPLIED CATALYSIS B-ENVIRONMENTAL
Volume: 142
Issue: 
起始頁: 38
結束頁: 44
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