首页|V、Nb和Mn掺杂α-Bi2O3的光电性质研究

V、Nb和Mn掺杂α-Bi2O3的光电性质研究

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氧化铋(Bi2O3)作为光催化剂,在废水处理方面拥有良好的发展前景。基于密度泛函理论的第一性原理计算,分析了钒(V)、铌(Nb)以及锰(Mn)掺杂Bi2O3的电子结构和光学性质。根据计算结果,半导体在离子掺杂后其禁带宽度明显缩小,此外在费米能级附近产生新的杂质能级,电子跃迁所需能量减少,导电性增加;光学性质表明掺杂体系吸收边发生红移,增强了可见光的吸收范围,为Bi203在光催化领域的应用提供了理论基础。
Study of Photoelectric Properties of V,Nb and Mn Doped α-Bi2O3
Bismuth oxide(Bi2O3)as a photocatalyst holds great development prospects in wastewater treatment.In this study,based on the first-principles calculations of density functional theory,the electronic structure and optical properties of Vanadium(V),Niobium(Nb)and Manganese(Mn)doped Bi2O3 were analyzed.According to the calculation results,the band gap width of the semiconductor significantly narrows after ion doping.Additionally,a new impurity level appears near the Fermi level,reducing the energy required for electron transitions and increasing the conductivity.The optical properties show a redshift in the absorption edge of the doped system,which enhances the absorption range of visible light,thus providing a theoretical basis for the application of Bi2O3 in the field of photocatalysis.

Mn-doped Bi2O3Electronic structureVisible light catalysisFirst principle

于镇、李海侠、张善祥、黄上分、吴浩伟、张巍钟

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桂林理工大学广西高校先进制造与自动化技术重点实验室,桂林 541006

桂林理工大学机械与控制工程学院,桂林 541006

Mn掺杂Bi2O3 电子结构 可见光催化,第一性原理

2024

中国陶瓷
中国轻工业陶瓷研究所

中国陶瓷

北大核心
影响因子:0.376
ISSN:1001-9642
年,卷(期):2024.60(7)