（0 0 1）表面定向BiOBr的合成及其光催化产H2O2性能的提高

IF 6.9 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Applied Surface Science Pub Date : 2025-07-06 DOI:10.1016/j.apsusc.2025.163963

YuChen Wang, Changjian Liu, XinRui Liu, JingRu Han, LiJun Yang, Xiaoyuan Liao, Yue Yao

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引用次数: 0

摘要

光催化生产过氧化氢是一种可持续生产氧气和水的方法。本研究在反应过程中，通过不同的溶剂分别制备了片状、片状和花状BiOBr微球。结果表明，BiOBr（0 0 1）的过氧化氢产量最高，为294 μmolg−1 h−1。通过XRD、SEM、XPS、ESR和DFT计算对其理化性质进行了充分研究，证实了BiOBr的暴露表面与氧空位浓度有密切关系，且BiOBr（0 0 1）具有最高的氧空位浓度（氧空位形成能4.17 eV）和光催化效果最好。DFT计算还表明，氧空位的引入增加了O2的吸附和活化能力，极大地降低了反应途径的吉布斯自由能。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Synthesis of (0 0 1) surface-oriented BiOBr for improved photocatalytic H2O2 production performance

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Synthesis of (0 0 1) surface-oriented BiOBr for improved photocatalytic H2O2 production performance

The photocatalytic production of hydrogen peroxide is a sustainable approach to producing oxygen and water. In this work, the microspheres flake-like, sheet-like, and flower-like BiOBr were by varying different solvents during the reaction process. The investigation revealed that the highest hydrogen peroxide production of 294 μmol g⁻¹ h⁻¹ was obtained for BiOBr(0 0 1). Their physico-chemical properties are fully investigated by XRD, SEM, XPS, ESR, and DFT calculation, which confirmed the exposure surface of BiOBr has a close relationship with the oxygen vacancy concentration, and BiOBr(0 0 1) has the highest oxygen vacancy concentration (oxygen vacancy formation energy 4.17 eV) and the best photocatalytic effect. DFT calculation also showed that the introduction of oxygen vacancies increased the adsorption and activation capacity of O₂ and greatly reduced the Gibbs free energy of the reaction pathway.

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来源期刊

Applied Surface Science 工程技术-材料科学：膜

CiteScore

12.50

自引率

7.50%

发文量

3393

审稿时长

67 days

期刊介绍： Applied Surface Science covers topics contributing to a better understanding of surfaces, interfaces, nanostructures and their applications. The journal is concerned with scientific research on the atomic and molecular level of material properties determined with specific surface analytical techniques and/or computational methods, as well as the processing of such structures.

（0 0 1）表面定向BiOBr的合成及其光催化产H2O2性能的提高

摘要

（0 0 1）表面定向BiOBr的合成及其光催化产H2O2性能的提高