Journal of the Korean Ceramic Society (한국세라믹학회지)

The Korean Ceramic Society (한국세라믹학회)
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Fabrication of M-Doped TiO2 (M=Co, Cr, Fe) : Its Electronic Band Structure-(1)

M-Doped TiO2 (M=Co, Cr, Fe)의 제조 : 전자 밴드구조-(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))
  • 배상원 (포항공과대학교 화학공학과/환경공학부) ;
  • 김현규 (한국기초과학지원연구원 부산센터) ;
  • 지상민 (포항공과대학교 화학공학과/환경공학부) ;
  • 장점석 (포항공과대학교 화학공학과/환경공학부) ;
  • 정의덕 (한국기초과학지원연구원 부산센터) ;
  • 홍석준 (포항공과대학교 화학공학과/환경공학부) ;
  • 이재성 (포항공과대학교 화학공학과/환경공학부)
  • Published : 2006.01.01
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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

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