Study on Ni-Doped Anatase by First Principle Method
- Corresponding author: XUE Xiang-Xin, xuexx@mail.neu.edu.cn
Citation: YU Zhi-Qing, WANG Xun, TIAN Ang, LIU Yan-Xia, YANG He, XUE Xiang-Xin. Study on Ni-Doped Anatase by First Principle Method[J]. Chinese Journal of Inorganic Chemistry, ;2017, 33(1): 41-48. doi: 10.11862/CJIC.2017.015
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(a) TiO2; (b) NiTi 1.04%; (c) NiTi 2.08%; (d) Niin 1.03%; (e) Niin 2.04%; Position of the Fermi energy level is showed by dot lines,Eg is the distance from the top of the valence band to the conduction band bottom,numerical values in brackets show the distance from the top of the valence band to the Fermi level