在Bi2S3/BiVO4/TiO2异质结中原位生长具有调控形态的Bi2S3以提高Cr （VI）的还原效率：实验和DFT研究

IF 5.8 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Journal of Alloys and Compounds Pub Date : 2025-04-27 DOI:10.1016/j.jallcom.2025.180653

Hongwei Wang, Zhiping Mao, Xinli Li, Yunfei Zang, Renhong Yu

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引用次数: 0

摘要

水中重金属离子污染，特别是六价铬（Cr(VI)）的污染一直是水处理领域关注的热点。光催化还原Cr（VI）被认为是一种有效的方法。本研究通过直接水热策略在TiO2纳米棒上构建BiVO4/TiO2和Bi2S3/BiVO4/TiO2 （BVT）异质结，以提高TiO2的Cr（VI）还原效率。此外，通过添加不同的硫源，可以在BiVO4/TiO2上原位生长出不同形态的Bi2S3。实验结果表明，BVT（H2NCSNH2）具有最强的光吸收强度、最窄的带隙（2.20 eV）和最佳的光电性能。对于光催化还原Cr(VI)， BVT（H2NCSNH2）表现出更强的吸附能力、更高的还原效率（达到94.9%）和更快的还原速率（0.0316 min-1），优于Bi2S3纳米片（Na2S2O3）和核壳结构纳米片（Na2S）。由DFT计算得到的功函数表明，在异质结界面处（从Bi2S3到BiVO4）建立了一个内部电场。综上所述，原位生长法合成的BVT（H2NCSNH2）异质结在废水处理中具有显著的潜力，为去除Cr（VI）提供了一种有效的途径。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

In situ growth of Bi2S3 with regulated morphology in Bi2S3/BiVO4/TiO2 heterojunction to boost the reduction efficiency of Cr (VI)：experimental and DFT study

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In situ growth of Bi2S3 with regulated morphology in Bi2S3/BiVO4/TiO2 heterojunction to boost the reduction efficiency of Cr (VI)：experimental and DFT study

Heavy metal ion pollution in water, especially hexavalent chromium Cr(VI), has been a major concerned in the field of water treatment. Photocatalytic reduction of Cr(VI) is considered to be one of the effective methods. In this study, BiVO₄/TiO₂ and Bi₂S₃/BiVO₄/TiO₂ (BVT) heterojunction were constructed on TiO₂ nanorods by a straightforward hydrothermal strategy to improve the Cr(VI) reduction efficiency of TiO₂. Furthermore, Bi₂S₃ with various morphologies were in situ growth on BiVO₄/TiO₂ by adding different sulfur (S) sources. The experimental results show that BVT(H₂NCSNH₂) exhibited the strongest light absorption intensity, the narrowest bandgap (2.20 eV), and the best photoelectric properties. For photocatalytic reduction of Cr(VI), BVT(H₂NCSNH₂) shows stronger adsorption capacity, more efficient reduction efficiency (reached 94.9%) and faster reduction rate (0.0316 min^-1), outperforming counterparts with Bi₂S₃ nanosheets (Na₂S₂O₃) and core-shell structure (Na₂S). The work function obtained from DFT calculations indicated that an internal electric field at the heterojunction interface (directed from Bi₂S₃ to BiVO₄) was built. To sum up, the BVT(H₂NCSNH₂) heterojunction was synthesized through in situ growth method shows significant potential in wastewater treatment, offering an effective approach for removal of Cr(VI).

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来源期刊

Journal of Alloys and Compounds 工程技术-材料科学：综合

CiteScore

11.10

自引率

14.50%

发文量

5146

审稿时长

67 days

期刊介绍： The Journal of Alloys and Compounds is intended to serve as an international medium for the publication of work on solid materials comprising compounds as well as alloys. Its great strength lies in the diversity of discipline which it encompasses, drawing together results from materials science, solid-state chemistry and physics.