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

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

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.

Keywords: α-Bi₂O₃ first-principles calculation non-metal doping photocatalytic performance

Received: 24 June 2013
Revised: 21 August 2013
Accepted manuscript online:

PACS:	81.07.Bc	(Nanocrystalline materials)
	68.37.Og	(High-resolution transmission electron microscopy (HRTEM))
	84.60.Jt	(Photoelectric conversion)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 51072012 and 51272015).

Corresponding Authors: Hao Wei-Chang
E-mail: whao@buaa.edu.cn

Cite this article:

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 2014 Chin. Phys. B 23 038103

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

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