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
N1 - Funding Information:
This research was financially supported by National Science Foundation of China under contract No. 50902056, Scientific Research Foundation for the Returned Overseas Chinese Scholars of Ministry of Education, Fundamental Research Funds for the Central Universities (HUST 2010MS087), and the State Key Lab of Material Processing and Die & Mould Technology.
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 -