THE LAPW CALCULATION OF ELECTRONIC STRUCTURE OF ANATASE TiO2 DOPED WITH TRANSITION METAL ATOMS
THE LAPW CALCULATION OF ELECTRONIC STRUCTURE OF ANATASE TiO2 DOPED WITH TRANSITION METAL ATOMS
复制标题
DOI：
10.1142/s0219633610005748
复制
发表时间：
2010-04
影响因子：
2.4
通讯作者：
B. Liao;Xian-ying Wu;Hong Liang;Xu Zhang;X. Hou;A. Liu
中科院分区：
文献类型：
--
作者：
B. Liao;Xian-ying Wu;Hong Liang;Xu Zhang;X. Hou;A. Liu
The electronic density of states (DOS) and energy bands of doped anatase TiO2 are studied by the full potential linearized augmented plane wave (FPLAPW) method based on the density functional theory. After doping with transition metal atoms, the band gap of TiO2 is narrowed, doping with transition metal cation makes both valence bands and conduction bands move towards lower position.
