| Enhancing visible-light photocatalytic activity of α-Bi2O3 via non-metal N and S doping |
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| 引用本文： | 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(3):560-565. |
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| 作者姓名： | 尚军 高远 郝维昌 井溪 信会菊 王亮 冯海凤 王天民 |
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| 基金项目： | Project supported by the National Natural Science Foundation of China(Grant Nos.51072012 and 51272015) |
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| 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.
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| 关 键 词： | 非金属元素 可见光活性 光催化活性 掺杂 铋基 第一原理计算 密度泛函理论 电子结构 |
Enhancing visible-light photocatalytic activity of α-Bi2O3 via non-metal N and S doping |
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| Abstract: | α-Bi2O3 , first-principles calculation, non-metal doping, photocatalytic performance |
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| Keywords: | α-Bi2O3 first-principles calculation non-metal doping photocatalytic performance |
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