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http://dx.doi.org/10.4191/KCERS.2006.43.1.022

Fabrication of M-Doped TiO2 (M=Co, Cr, Fe) : Its Electronic Band Structure-(1)  

Bae, Sang-Won (Department of Chemical Engineering/School of Environmental Science and Engineering, Pohang University of Science and Technology (POSTECH))
Kim, Hyun-Gyu (Busan Center, Korea Basic Science Institute (KBSI))
Ji, Sang-Min (Department of Chemical Engineering/School of Environmental Science and Engineering, Pohang University of Science and Technology (POSTECH))
Jang, Jum-Suk (Department of Chemical Engineering/School of Environmental Science and Engineering, Pohang University of Science and Technology (POSTECH))
Jeong, Euh-Duck (Busan Center, Korea Basic Science Institute (KBSI))
Hong, Suk-Joon (Department of Chemical Engineering/School of Environmental Science and Engineering, Pohang University of Science and Technology (POSTECH))
Lee, Jae-Sung (Department of Chemical Engineering/School of Environmental Science and Engineering, Pohang University of Science and Technology (POSTECH))
Publication Information
Journal of the Korean Ceramic Society / v.43, no.1, 2006 , pp. 22-27 More about this Journal
Abstract
The electronic band structures of Metal-doped titanium dioxide, M-doped $TiO_2$ (M=Co, Cr, Fe), have been studied by using XRD, UV-vis diffuse reflectance spectrometer and FP-LAPW (Full-Potential Linearized Augmented-Plane-Wave) method. The UV-vis of M-doped $TiO_2$ (M=Co, Cr, Fe) showed two absorption edges; the main edge due to the titanium dioxide at 387 nm and a shoulder due to the doped metals at around 560 nm. The band gap energies of Co, Cr and Fe-doped $TiO_2$ calculated by FP-LAPW method were 2.6, 2.0, and 2.5 eV, respectively. The theoretically calculated band gap energy of $TiO_2$ by using FP-LAPW method was the same as experimental results. FP-LAPW method will be useful for fabrication and development of photo catalysts working under visible light.
Keywords
Energy band gap; Visible light; Photocatalysts; Hydrothermal synthesis methods;
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