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J. Korean Ceram. Soc. > Volume 43(1); 2006 > Article
Journal of the Korean Ceramic Society 2006;43(1): 22.
doi: https://doi.org/10.4191/kcers.2006.43.1.022
M-Doped TiO2 (M=Co, Cr, Fe)의 제조 : 전자 밴드구조-(1)
배상원, 김현규1, 지상민, 장점석, 정의덕1, 홍석준, 이재성
포항공과대학교 화학공학과/환경공학부
1한국기초과학지원연구원 부산센터
Fabrication of M-Doped TiO2 (M=Co, Cr, Fe) : Its Electronic Band Structure-(1)
Sang-Won Bae, Hyun-Gyu Kim1, Sang-Min Ji, Jum-Suk Jang, Euh-Duck Jeong1, Suk-Joon Hong, Jae-Sung Lee
Department of Chemical Engineering/School of Environmental Science and Engineering, Pohang University of Science and Technology (POSTECH)
1Busan Center, Korea Basic Science Institute (KBSI)
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.
Key words: Energy band gap, Visible light, Photocatalysts, Hydrothermal synthesis methods
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