Enhancing visible-light photocatalytic activity of α-Bi2O3 via non-metal N and S doping

doi:10.1088/1674-1056/23/3/038103

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

Enhancing visible-light photocatalytic activity of α-Bi₂O₃ via non-metal N and S doping

尚军, 高远, 郝维昌, 井溪, 信会菊, 王亮, 冯海凤, 王天民

Center of Materials Physics and Chemistry and Department of Physics, Beihang University, Beijing 100191, China

收稿日期:2013-06-24 修回日期:2013-08-21 出版日期:2014-03-15 发布日期:2014-03-15
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 51072012 and 51272015).

Enhancing visible-light photocatalytic activity of α-Bi₂O₃ via non-metal N and S doping

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)

Center of Materials Physics and Chemistry and Department of Physics, Beihang University, Beijing 100191, China

Received:2013-06-24 Revised:2013-08-21 Online:2014-03-15 Published:2014-03-15
Contact: Hao Wei-Chang E-mail:whao@buaa.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 51072012 and 51272015).

摘要/Abstract

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.

关键词: α-Bi₂O₃, first-principles calculation, non-metal doping, photocatalytic performance

Abstract: 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.

Key words: α-Bi₂O₃, first-principles calculation, non-metal doping, photocatalytic performance

中图分类号: (Nanocrystalline materials)

81.07.Bc

68.37.Og (High-resolution transmission electron microscopy (HRTEM)) 84.60.Jt (Photoelectric conversion)

尚军, 高远, 郝维昌, 井溪, 信会菊, 王亮, 冯海凤, 王天民. Enhancing visible-light photocatalytic activity of α-Bi₂O₃ via non-metal N and S doping[J]. 中国物理B, 2014, 23(3): 38103-038103.

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). Enhancing visible-light photocatalytic activity of α-Bi₂O₃ via non-metal N and S doping[J]. Chin. Phys. B, 2014, 23(3): 38103-038103.

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Enhancing visible-light photocatalytic activity of α-Bi₂O₃ via non-metal N and S doping

Enhancing visible-light photocatalytic activity of α-Bi₂O₃ via non-metal N and S doping

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