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International Journal of Photoenergy
Volume 2012, Article ID 453018, 9 pages
Research Article

Photocatalytical Properties and Theoretical Analysis of N, Cd-Codoped TiO2 Synthesized by Thermal Decomposition Method

1State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China
2Department of Chemistry and Chemical Engineering, Jining University, Qufu 273155, China
3College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao 266042, China

Received 19 June 2011; Revised 1 August 2011; Accepted 2 August 2011

Academic Editor: Jinlong Zhang

Copyright © 2012 Hongtao Gao 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.


N, Cd-codoped TiO2 have been synthesized by thermal decomposition method. The products were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), UV-visible diffuse reflectance spectra (DRS), X-ray photoelectron spectroscopy (XPS), and Brunauer-Emmett-Teller (BET) specific surface area analysis, respectively. The products represented good performance in photocatalytic degradation of methyl orange. The effect of the incorporation of N and Cd on electronic structure and optical properties of TiO2 was studied by first-principle calculations on the basis of density functional theory (DFT). The impurity states, introduced by N 2p or Cd 5d, lied between the valence band and the conduction band. Due to dopants, the band gap of N, Cd-codoped TiO2 became narrow. The electronic transition from the valence band to conduction band became easy, which could account for the observed photocatalytic performance of N, Cd-codoped TiO2. The theoretical analysis might provide a probable reference for the experimentally element-doped TiO2 synthesis.