Photocatalytic degradation of methylene blue using polyaniline-based silver-doped zinc sulfide (PANI-Ag/ZnS) composites

Abstract

This study set out to determine the photocatalytic degradation potential of polyaniline-based silver-doped zinc sulfide composite (PANI-Ag/ZnS) for effective degradation of methylene blue. The heterogeneous photocatalytic experiments were carried out by irradiating aqueous dye solutions with ultraviolet light (UV-254 nm). The catalysts (ZnS, Ag/ZnS, PANI-ZnS, and PANI-Ag/ZnS) were prepared successfully and characterized by Fourier Transforms Infrared Spectroscopy (FTIR), Scanning Electron Microscopy (SEM), and Energy-dispersive X-ray diffraction (EDX). Combined with density functional theory calculations, a set of calculations has been performed for optimization, computation, and accuracy of the structure. After the optimization, the equilibrium lattice were a=b= (0.54447 nm), in good agreement with experimental results (a=b=c=0.54093 nm). Fermi energy levels E_f, indicating Ag-doped in ZnS as the impurity acceptor and for better visible-light photo-catalysis, narrow bandgap, and acceptor states are beneficial. The optimization of effective parameters like pH, catalyst dose, oxidant dose, dye concentration, and reaction time was carried out. The best degradation efficiency (> 95%) of PANI-Ag/ZnS composite against methylene was achieved within 60 min of reaction time under optimized conditions. The optimized conditions were recoded as follows: pH = 7, catalysts dose = 30 mg/L, oxidant dose = 3 mM, and irradiation time = 60 min under UV-254 nm for all catalysts. The central composite design (CCD) under the Response Surface Methodology (RSM) was chosen as a statistical tool to obtain the correlation of influential parameters. Five successive reusability trials were carried out to check the stability of catalysts.

Keywords: Density functional theory (DFT); Heterogeneous photocatalysis; Polyaniline; Response surface methodology; Silver doping; Wastewater treatment.