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International Journal of Photoenergy
Volume 2012, Article ID 368750, 10 pages
Research Article

Synthesis, Characterization, and Photocatalysis of Fe-Doped : A Combined Experimental and Theoretical Study

1State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, Wuhan City, Hubei Province 430070, China
2Photocatalyst Group, Kanagawa Academy of Science and Technology, KSP East 412, 3-2-1 Sakado, Takatsu-ku, Kawasaki, Kanagawa 213-0012, Japan
3Division of Photocatalyst for Energy and Environment, Research Institute for Science and Technology, Tokyo University of Science, 1-3 Kagurazaka, Shinjuku-ku, Tokyo 162-8601, Japan

Received 6 January 2012; Revised 25 February 2012; Accepted 27 February 2012

Academic Editor: Baibiao Huang

Copyright © 2012 Liping Wen et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


Fe-doped TiO2 was prepared by hydrothermal treating Ti peroxide sol with different amount of iron nitrate. Fe ions can enter TiO2 lattice by substituting Ti4+ ions, which significantly affect the crystallinity and morphology of TiO2 nanoparticles. Fe doping also influences the UV-Vis absorption and photoluminescence of TiO2, due to the change of electronic structure. It is shown that Fe ions are more easily doped on TiO2 surface than in bulk. The theoretical computation based on the density functional theory (DFT) shows that the Fe ions in TiO2 bulk are localized and mainly act as the recombination centers of photoinduced electrons and holes. Some results support that the Fe3+ ions on surface can form intermediate interfacial transfer pathway for electrons and holes, which is beneficial for increasing the photocatalytic activity of TiO2. The photocatalytic activity first increases and then decreases as the Fe concentration increases, which is coaffected by the bulk-doped and surface-doped Fe ions.