中国物理B ›› 2014, Vol. 23 ›› Issue (3): 38103-038103.doi: 10.1088/1674-1056/23/3/038103
• INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY • 上一篇 下一篇
尚军, 高远, 郝维昌, 井溪, 信会菊, 王亮, 冯海凤, 王天民
Shang Jun (尚军), Gao Yuan (高远), Hao Wei-Chang (郝维昌), Jing Xi (井溪), Xin Hui-Ju (信会菊), Wang Liang (王亮), Feng Hai-Feng (冯海凤), Wang Tian-Min (王天民)
摘要: In recent years, some important research indicated that the visible-light activity of photocatalysts could be enhanced via incorporating p-block non-metal elements into the lattice. In this paper, we investigated the electronic structures of pure and different non-metal (C, N, S, F, Cl, and Br) doped α-Bi2O3 using first-principles calculations based on the density functional theory. The band structures, the electronic densities of states, and the effective masses of electrons and holes for doped α-Bi2O3 were obtained and analyzed. The N and S dopings narrowed the band gap and reduced the effective mass of the carriers, which are beneficial for the photocatalytic performance. The theoretical predication was further confirmed by the experimental results.
中图分类号: (Nanocrystalline materials)