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

• Published in: Chemical physics letters Vol. 856; p. 141681
• Main Authors: Ait Baha, Ali, Khossossi, Nabil, Lakbita, Omar, Brahmi, Younes, El Mernissi, Yassine, Aziz, Taoufyq, Benlhachemi, Abdeljalil, Bakiz, Bahcine, Abou Oualid, Hicham
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01-12-2024
• Subjects: Ag3PO4; Band gap energy- Orange G; DFT calculations; Mechanochemical method; Photocatalysis; Mechanochemical method; Band gap energy- Orange G; Photocatalysis; Ag3PO4; DFT calculations
• ISSN: 0009-2614
• DOI: 10.1016/j.cplett.2024.141681

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•Ag3PO4 photocatalyst was successfully synthesized by mechanochemical method.•Enhanced band gap energy resulted in an excellent photocatalytic degradation performance under visible light irradiation.•Band gap energy prediction was conducted by DFT.
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.