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具有高光催化活性的分子印迹 AgS 量子点用于染料去除:实验和 DFT 见解。

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

机构信息

Department of Chemistry, School of Chemical Engineering and Physical Sciences, Lovely Professional University, Phagwara, Punjab, 144411, India.

Department of Structural Chemistry and Spectroscopy, Universitat Leipzig, 04103, Leipzig, Germany.

出版信息

J Environ Manage. 2024 Aug;366:121889. doi: 10.1016/j.jenvman.2024.121889. Epub 2024 Jul 24.

DOI:10.1016/j.jenvman.2024.121889
PMID:39053374
Abstract

Molecular imprinted polymers (MIPs) were developed by carrying out the cocktail solution of Template ((Salata, 2004)-Gingerol), monomer, crosslinker, and AgS 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 AgS-MIPs composite for the degradation of AR and SY dye with degradation% (80%) and (84%) in the aqueous wastewater. The degradation efficiency of the AgS-MIPs composite and the AgS QD associated with non-imprinted polymers (NIPs) (i.e.AgS-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 AgS 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 AgS 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 AgS 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.

摘要

分子印迹聚合物(MIPs)是通过将模板((Salata,2004)-姜辣素)、单体、交联剂和 AgS 量子点(QDs)的鸡尾酒溶液在适当的溶剂中进行原位溶解而制备的,从而得到高效的交联聚合物复合材料。首次报道了通过制备的 MIPs 复合材料引入,在可见光照射下可以有效降解 Alizarin red S(ARS)染料和 Yellowish sunset(SY)偶氮染料。在这项研究中,结果表明 AgS-MIPs 复合材料对 AR 和 SY 染料的光催化活性很高,在水溶液中降解率分别为 80%和 84%。通过使用不同的参数,如催化剂剂量、pH 值、最佳时间和浓度变化,计算了 AgS-MIPs 复合材料和与非印迹聚合物(NIPs)相关的 AgS QD(即 AgS-NIPs 复合材料)的降解效率,观察结果是有启发性的。此外,还使用密度泛函理论(DFT)方法分析了基于(Salata,2004)-姜辣素提取物的 AgS QD 与 MIPs 的有机-无机杂化复合材料的结构、稳定性/能量学和电子特性。在所选择的三种复合模型中,AgS QD 和 MIPs(EGDMA 和(Salata,2004)-姜辣素)复合模型被检测为最稳定的,因为它表现出最大的结合能(BE)。结果表明,印迹聚合物在增强染料降解方面优于非印迹聚合物。将印迹聚合物引入价带可以加速催化性能,稳定新形成的激子,这些激子基本上是在 AgS 量子点(QDs)和分子印迹聚合物(MIPs)存在的情况下由光激发产生的。这项工作的动机是解决由有机染料引起的环境污染相关的挑战。这些毒素一旦通过摄入和吸入暴露,已知会引起各种症状(例如皮肤刺激、眼睛感染、呼吸障碍,甚至癌症)。通过将 AgS QD 引入 MIP,本研究的目的是提高对染料的选择性、特异性和光催化活性,通过开发一种经济有效的可持续方法来控制水中的污染,为环境修复提供了一种潜力。

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