Analysis of Ag-DP25/PET plasmonic nano-composites as a visible-light photocatalyst for wastewater treatment: Experimental/theoretical studies, and the DFT-MB degradation mechanism

C V Paz; M Fereidooni; W Hamd; E A Daher; P Praserthdam; S Praserthdam

doi:10.1016/j.envres.2024.119081

Analysis of Ag-DP25/PET plasmonic nano-composites as a visible-light photocatalyst for wastewater treatment: Experimental/theoretical studies, and the DFT-MB degradation mechanism

Environ Res. 2024 May 5;252(Pt 4):119081. doi: 10.1016/j.envres.2024.119081. Online ahead of print.

Authors

C V Paz¹, M Fereidooni², W Hamd³, E A Daher⁴, P Praserthdam⁵, S Praserthdam⁶

Affiliations

¹ Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC), Department of Chemical Engineering, Faculty of Engineering, Chulalongkorn University, Bangkok, 10300, Thailand. Electronic address: cristianvianey26@gmail.com.
² Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC), Department of Chemical Engineering, Faculty of Engineering, Chulalongkorn University, Bangkok, 10300, Thailand. Electronic address: fereidoonimohammad@gmail.com.
³ Chemical Engineering Department, Faculty of Engineering, University of Balamand, P.O. Box 33, 1355, El-Koura, Lebanon. Electronic address: Wael.Hamd@balamand.edu.lb.
⁴ Petrochemical Engineering Department, Faculty of Engineering III, CRSI, Lebanese University, Rafic Hariri Campus, 1533, Hadat, Lebanon; Laboratoire Chimie de la Matière Condensée de Paris LCMCP, Sorbonne Université, UPMC Paris 06, 4 Place Jussieu, 75005, Paris, France. Electronic address: elias.daher@sorbonne-universite.fr.
⁵ Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC), Department of Chemical Engineering, Faculty of Engineering, Chulalongkorn University, Bangkok, 10300, Thailand. Electronic address: piyasan.p@chula.ac.th.
⁶ Center of Excellence on Catalysis and Catalytic Reaction Engineering (CECC), Department of Chemical Engineering, Faculty of Engineering, Chulalongkorn University, Bangkok, 10300, Thailand. Electronic address: Supareak.P@chula.ac.th.

PMID: 38714221
DOI: 10.1016/j.envres.2024.119081

Abstract

The development of polymeric-composites Agx%DP25-PET (x = 0,1,2,3) may significantly boost the potential application of Agx%DP25 (x = 0,1,2,3) photocatalytic powders. Producing large-scale nano-composites with hybrid-surfaces, that are also flexible materials and easy to employ in a variety of environments. A set of photocatalytic nan-composites embedded with the polymeric binder poly (acrylonitrile-co-butadiene)-dicarboxy terminated (C7H9N) were performed and evaluated for wastewater treatment applications. The results reveal that the flexible polymeric composites (Agx%DP25-PET, x = 0,1,2,3) have photocatalytic activity in aqua media to degrade methylene blue (MB) under visible-light. The addition of C7H9N to immobilize photocatalytic powders on the PET surface reduces photo-generated electron-hole recombination. The materials were characterized by HR-TEM, SEM/EDX, XRD, FT-IR, UV-Vis DRS and PL. The Agx%DP25-PET (x = 0,1,2,3) photocatalytic reactions exhibited productive discoloration/degradation rates, in both aerobic (AE) and anaerobic (AN) environments. The superior photodegradation of Ag2%DP25-PET was attributed to a combination of two effects: LSPR (localized surface plasmon resonance) and Ag-TiO₂/environment affinities. The findings of molecular dynamics (MD) simulation and Fukui Function (FF) based on density functional theory (DFT) provide significant insight into the photocatalytic requirements for MB discoloration/degradation. The experimental/theoretical analysis aimed to offer an in-depth understanding of medium/surface interactions on decorated TiO₂ materials, as well as how these interactions affect overall degradation behavior.

Keywords: Ag-decoration; Binder C7H9N; Methylene blue; PET substrate; TiO(2) anatase-rutile; Visible-light photodegradation.