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用于高效光催化降解盐酸四环素的新型Z型MgFeO/BiWO异质结:机理洞察、降解途径及密度泛函理论计算

Novel Z-scheme MgFeO/BiWO heterojunction for efficient photocatalytic degradation of tetracycline hydrochloride: Mechanistic insight, degradation pathways and density functional theory calculations.

作者信息

Zhang Han, Meng Fanming, Wei Hainan, Yu Wenqing, Yao Sheng

机构信息

School of Materials Science and Engineering, Anhui University, Hefei 230601, PR China.

School of Materials Science and Engineering, Anhui University, Hefei 230601, PR China.

出版信息

J Colloid Interface Sci. 2023 Dec 15;652(Pt B):1282-1296. doi: 10.1016/j.jcis.2023.08.164. Epub 2023 Aug 26.

DOI:10.1016/j.jcis.2023.08.164
PMID:37659301
Abstract

In this study, a new Z-scheme MgFeO/BiWO heterojunction was successfully prepared by hydrothermal and wet ball milling process. The results of the study showed that after 90 min of visible light exposure, the photocatalytic degradation of tetracycline hydrochloride (TCH) by 25%-MgFeO/BiWO heterojunction was as high as 95.82%, and the highest photocatalytic rate (0.0281 min) was 4.61 and 3.43 times higher than that of pure BiWO (0.0061 min) and MgFeO (0.0082 min), respectively. Furthermore, spin-polarized density functional theory (DFT) calculations were performed to provide additional evidence of the presence of a Z-scheme charge transfer mechanism between MgFeO and BiWO. We investigated the effects of initial TCH concentration, pH, coexisting ions and different water sources on the efficiency of photocatalytic degradation of TCH in composite samples. The recovery experiments demonstrated that the MgFeO/BiWO composites had good stability and repeatability. A series of experimental results showed that 25%-MgFeO/BiWO had a larger specific surface area, better ultraviolet and visible absorbance, superior charge transfer and higher efficiency of photogenerated electron-hole pair separation. This paper provides new ideas for the design and preparation of new Z-scheme heterojunctions and has great prospects for practical applications in the field of wastewater treatment.

摘要

在本研究中,通过水热法和湿球磨工艺成功制备了一种新型Z型MgFeO/BiWO异质结。研究结果表明,在可见光照射90分钟后,25%-MgFeO/BiWO异质结对盐酸四环素(TCH)的光催化降解率高达95.82%,其最高光催化速率(0.0281 min⁻¹)分别是纯BiWO(0.0061 min⁻¹)和MgFeO(0.0082 min⁻¹)的4.61倍和3.43倍。此外,进行了自旋极化密度泛函理论(DFT)计算,以提供MgFeO和BiWO之间存在Z型电荷转移机制的额外证据。我们研究了初始TCH浓度、pH值、共存离子和不同水源对复合样品中TCH光催化降解效率的影响。回收实验表明,MgFeO/BiWO复合材料具有良好的稳定性和重复性。一系列实验结果表明,25%-MgFeO/BiWO具有更大的比表面积、更好的紫外和可见光吸收能力、优异的电荷转移性能以及更高的光生电子-空穴对分离效率。本文为新型Z型异质结的设计和制备提供了新思路,在废水处理领域具有广阔的实际应用前景。

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