TY - JOUR
T1 - Enhanced visible-light photocatalytic activity of anatase TiO2 through N and S codoping
AU - Jia, Lichao
AU - Wu, Congcong
AU - Li, Yuanyuan
AU - Han, Song
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 (Grant No. HUST 2010MS087), and the State Key Laboratory of Material Processing and Die and Mold Technology. The authors would like to thank Materials Characterization Center of Huazhong University of Science and Technology for XPS and UV-Vis assistance.
PY - 2011/5/23
Y1 - 2011/5/23
N2 - The density of states and optical properties of N, S, and (N, S)-doped anatase TiO2 are calculated based on the density functional theory. The results indicate that the doping S atoms occupy the Ti-atom sites in anatase TiO2 lattice. The mixing of O 2p, N 2p, S 3p, and Ti 3d states in the forbidden gap of (N, S)-codoped TiO2 can result in the higher visible-light photocatalytic activities than those monodoped TiO2. For comparison, (N, S)-codoped TiO2 was also synthesized by one-step hydrothermal method, and the optical absorption spectra obtained by experiments verified the reliability of our calculation.
AB - The density of states and optical properties of N, S, and (N, S)-doped anatase TiO2 are calculated based on the density functional theory. The results indicate that the doping S atoms occupy the Ti-atom sites in anatase TiO2 lattice. The mixing of O 2p, N 2p, S 3p, and Ti 3d states in the forbidden gap of (N, S)-codoped TiO2 can result in the higher visible-light photocatalytic activities than those monodoped TiO2. For comparison, (N, S)-codoped TiO2 was also synthesized by one-step hydrothermal method, and the optical absorption spectra obtained by experiments verified the reliability of our calculation.
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U2 - 10.1063/1.3593147
DO - 10.1063/1.3593147
M3 - Article
AN - SCOPUS:79959389642
SN - 0003-6951
VL - 98
JO - Applied Physics Letters
JF - Applied Physics Letters
IS - 21
M1 - 211903
ER -