Molecularly imprinted Ag2S quantum dots with high photocatalytic activity for dye removal: Experimental and DFT insights

Abstract

Molecular imprinted polymers (MIPs) were developed by carrying out the cocktail solution of Template ((Salata, 2004)-Gingerol), monomer, crosslinker, and Ag2S Quantum Dots (QDs) by ex-situ dissolved in an appropriate solvent, resulting in an efficient crosslinked polymer composite. Degradation of Alizarin red S (ARS) dye and yellowish sunset (SY) azo dye under visible light irradiation was reported first time by the introduction of prepared MIPs composite. In this research, the result shows efficient photocatalyt activity of Ag2S-MIPs composite for the degradation of AR and SY dye with degradation% (80%) and (84%) in the aqueous wastewater. The degradation efficiency of the Ag2S-MIPs composite and the Ag2S QD associated with non-imprinted polymers (NIPs) (i.e.Ag2S-NIPs composite) were calculated by using different parameters such as catalyst dose, pH value, optimum time and concentration variation and the observations are evocative. Moreover, the density functional theory (DFT) approach was also used to analyze the structural, stability/energetics, and electronic features of the organic-inorganic hybrid composites of the Ag2S QD with the MIPs based on (Salata, 2004)-gingerol extract. The proposed QD and MIPs (EGDMA and (Salata, 2004)-Gingerol) composite model has been detected to be the most stable because it shows the largest binding energy (BE) among the three chosen composite models. It was found out that imprinted polymers were superior in enhancing the degradation of dyes when compared to non imprinted polymers. Introducing MIPs into the valence band accelerates the catalysis properties to stabilize newly fashioned excitons that are basically generated as a result of light excitation in presence of Ag2S Quantum Dots (QDs) and molecular imprinted polymer (MIPs). Motivation behind this work is to address the challenges related to environmental pollution causing by organic dyes. These toxins are known to cause diverse symptoms (e.g., skin irritation, eye infection, respiratory disorders, and even cancer) once exposed through ingestion and inhalation. Through incorporation of Ag2S QD into MIP,the purpose of this research is to enhance the selectivity, specificity and photocatalytic activity for dyes and that work holds a potential towards environmental remediation by developing a cost effective and sustainable method for controlling pollution in water.