Enhanced band gap energy of one-pot mechano-synthesized Ag3PO4 for Orange G photodegradation under visible light irradiation: An in-depth experimental and DFT studies

IF 2.8 3区化学 Q3 CHEMISTRY, PHYSICAL

Chemical Physics Letters Pub Date : 2024-10-11 DOI:10.1016/j.cplett.2024.141681

Ali Ait Baha , Nabil Khossossi , Omar Lakbita , Younes Brahmi , Yassine El Mernissi , Taoufyq Aziz , Abdeljalil Benlhachemi , Bahcine Bakiz , Hicham Abou Oualid

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Abstract

The present study highlights the efficiency of Ag₃PO₄ photocatalyst with a band gap of 2.25 eV, synthesized by a green and one-pot simple mechanochemical method, towards photodegradation of orange G under visible irradiation. The phase structure, morphology, and optical properties of mechano-synthesized Ag₃PO₄ were investigated using X-ray diffraction, Scanning Electron Microscopy, Thermogravimetric Analysis, Fourier Transform Infrared, the Brunauer-Emmet-Teller surface area, and UV–vis diffuse reflectance spectroscopy. DFT calculations were also conducted for band gap energy prediction. The photocatalytic activity of the sample was evaluated using a central composite design for surface response methodology (CCD-RSM) to determine the optimal conditions for Orange G (OG) removal. The photocatalytic activity of Ag₃PO₄ was approximately 93 % within 20 min of reaction under irradiation for 24.6 mg/L and 11 mg/L of Ag₃PO₄ and Orange G, respectively. Trapping experiments confirmed that peroxides and hydroxyl radicals are the dominant active species in the photodegradation process.

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一锅机械合成 Ag3PO4 在可见光照射下光降解橙 G 的增强带隙能：深入的实验和 DFT 研究

本研究采用绿色、一锅简单的机械化学方法合成了带隙为 2.25 eV 的 Ag3PO4 光催化剂，在可见光照射下对橙 G 进行光降解。利用 X 射线衍射、扫描电子显微镜、热重分析、傅里叶变换红外、布鲁诺-艾美特-泰勒比表面积和紫外-可见漫反射光谱研究了机械合成 Ag3PO4 的相结构、形貌和光学性质。此外，还进行了带隙能预测的 DFT 计算。采用表面响应方法的中心复合设计（CCD-RSM）对样品的光催化活性进行了评估，以确定去除橙 G（OG）的最佳条件。在 24.6 mg/L 和 11 mg/L 的 Ag3PO4 和 Orange G 的照射下，Ag3PO4 在 20 分钟内的光催化活性约为 93%。捕集实验证实，过氧化物和羟基自由基是光降解过程中的主要活性物种。

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来源期刊

Chemical Physics Letters 化学-物理：原子、分子和化学物理

CiteScore

5.70

自引率

3.60%

发文量

798

审稿时长

33 days

期刊介绍： Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage. Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.