TY - JOUR
T1 - Theoretical study on the electronic and optical properties of (N, Fe)-codoped anatase TiO2 photocatalyst
AU - Jia, Lichao
AU - Wu, Congcong
AU - Han, Song
AU - Yao, Nian
AU - Li, Yuanyuan
AU - Li, Zongbao
AU - Chi, Bo
AU - Pu, Jian
AU - Jian, Li
PY - 2011/5/19
Y1 - 2011/5/19
N2 - Electronic and optical properties of pure, N-doped, Fe-doped and (N, Fe)-codoped anatase TiO2 were evaluated, respectively, by using the density functional theory. The results indicate that the elemental doping narrows the band gap of TiO2 and realize its visible-light response activity; and incorporation of Fe into N-doped TiO2 further increases the photocatalytic activity under visible-light irradiation compared with that of the N-doped TiO2.
AB - Electronic and optical properties of pure, N-doped, Fe-doped and (N, Fe)-codoped anatase TiO2 were evaluated, respectively, by using the density functional theory. The results indicate that the elemental doping narrows the band gap of TiO2 and realize its visible-light response activity; and incorporation of Fe into N-doped TiO2 further increases the photocatalytic activity under visible-light irradiation compared with that of the N-doped TiO2.
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U2 - 10.1016/j.jallcom.2011.03.012
DO - 10.1016/j.jallcom.2011.03.012
M3 - Article
AN - SCOPUS:79954423422
VL - 509
SP - 6067
EP - 6071
JO - Journal of Alloys and Compounds
JF - Journal of Alloys and Compounds
SN - 0925-8388
IS - 20
ER -