S-scheme BiOBr/Bi2WO6 with oxygen vacancies for synergistic photodegradation and hydrogen generation: Mechanisms insight and DFT calculations

光降解 氧气 密度泛函理论 方案(数学) 材料科学 化学物理 化学工程 化学 催化作用 计算化学 光催化 工程类 有机化学 数学 数学分析
作者
Yuanyuan Zhang,Yue Li,Yuan Yuan
出处
期刊:Journal of Alloys and Compounds [Elsevier]
卷期号:995: 174755-174755 被引量:2
标识
DOI:10.1016/j.jallcom.2024.174755
摘要

An S-type heterojunction photocatalyst Bi2WO6/BiOBr (BWO/BiOBr) with an interlaced band structure and abundant oxygen vacancies (Ov) was synthesized using a hydrothermal method and high-temperature calcination. The surface was modified with carbon quantum dots (CQDs) to create a 0D/2D/2D structure. The resulting photocatalyst exhibited superior performance, with a degradation rate for Norfloxacin (NOR) antibiotics surpassing Bi2WO6 with oxygen vacancies (BWO-Ov) and BiOBr by 6.55 and 3.96 times, respectively. Notably, it achieved a high hydrogen generation rate of 459.49 μmol·g−1·h−1 under visible light. The enhanced carrier transfer and solar absorption were attributed to the synergistic effect of CQDs and S-type heterojunctions. The face-to-face 2D/2D structure provided abundant reaction sites. The influence of initial NOR concentration and photocatalyst dosage on photocatalytic activity was investigated in our study. Incorporating CQDs improved solar absorption, as confirmed by NOR degradation under various wavelengths. Electron spin resonance (ESR) analysis indicated the generation of reactive oxygen species. Density functional theory (DFT) calculations and characterization explored charge transfer mechanisms and degradation pathways. These findings contribute to the design of efficient S-type heterogeneous photocatalysts for sustainable energy and environmental applications.
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