在铂电极上电沉积 Cu-MOF 以高效电化学降解酒石酸染料的参数控制和降解机理:实验和理论发现

IF 7.5 Q1 CHEMISTRY, PHYSICAL
Aisha Ganash , Saja Othman , Aisha Al-Moubaraki , Entesar Ganash
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引用次数: 0

摘要

电化学氧化是一种毒性低、反应快、易于使用的技术。通过消除染料和其他有机污染物,该技术有望提高废水处理的可持续性和效率。本研究采用阴极电沉积技术在铂电极上有效合成了纯 Cu-MOF。傅立叶变换红外光谱(FTIR)、紫外可见光谱(UV-Vis)、扫描电子显微镜(SEM)、能量色散 X 射线(EDX)和 X 射线衍射(XRD)被用来评估合成的铜-金属有机框架(Cu-MOF)。在不同条件下,在 KCl 水溶液中对酒石酸染料进行电化学降解,以评估 Cu-MOF/Pt 电极的电化学效率。根据支持电解质类型、溶液 pH 值、累积时间和应用电位等操作参数的影响,调整了酒石酸(Tz)降解随时间变化的函数。结果表明,在最佳操作条件下,酸性介质(pH=3)最有利于 Tz 染料的活性降解。电解 20 分钟后,99% 的染料消失。降解 Tz 的最佳电位是施加电位的 1.4 V,因为它不会对能耗或电极的稳定性和耐用性产生负面影响。Tz 降解符合伪一阶动力学,速率常数为 0.124 min-1。研究结果表明,Cu-MOF/Pt 的电化学效率高达 99%,而且电极的回收率、可重复性和可重复使用性都得到了研究。计算研究以 Lee/Yang/Parr (B3LYP) 6-311++ G(d,p)水平为函数集计算基础,证明了 HClO 自由基对 Tz 的电化学破坏。结果表明,实验预测的机理与理论确定的机理非常吻合。根据所提出的机理,Cu-MOF 在降解 Tz 的过程中起催化剂的作用,它放出水产生 HO- 自由基,这些自由基被物理吸附在 Cu-MOF/Pt 表面。Cu-MOF(HO-) 与水中的 Cl- 离子结合,形成 Cu-MOF(HClO),攻击 Tz 染料的偶氮键(-N=N-),将其降解为 CO2 和 H2O。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

An electrodeposition of Cu-MOF on platinum electrode for efficient electrochemical degradation of tartrazine dye with parameter control and degradation mechanisms: Experimental and theoretical findings

An electrodeposition of Cu-MOF on platinum electrode for efficient electrochemical degradation of tartrazine dye with parameter control and degradation mechanisms: Experimental and theoretical findings

Electrochemical oxidation is a low-toxicity, fast-reacting technology that is easy to employ. This technology has great promise for improving the sustainability and efficiency of wastewater treatment by eliminating dyes and other organic contaminants. In this study, a cathodic electrodeposition technique was used to effectively synthesize pure Cu-MOF on a Pt electrode. Fourier-Transform Infrared Spectroscopy (FTIR), Ultraviolet -Visible Spectroscopy (UV-Vis), Scanning Electron Microscopy (SEM), Energy-Dispersive X-Ray (EDX), and X-Ray Diffraction (XRD) were used to evaluate the synthesized Copper-Metal Organic Framework (Cu-MOF). The electrochemical degradation of tartrazine dye in an aqueous KCl solution under various conditions was used to evaluate the electrochemical efficiency of the Cu-MOF/Pt electrode. Tartrazine (Tz) degradation as a function of time has been adjusted for the influence of operational parameters such as the type of supporting electrolyte, pH of the solution, accumulation time, and applied potential. Based on the results, the acid medium (pH=3) was the most beneficial medium for the active degradation of Tz dye at optimal operating conditions. It was found that 99 % of the dye had disappeared following 20 min of electrolysis. The optimal potential for the degradation of Tz was 1.4 V of the applied potential since it has no negative impacts on the energy consumption or stability and durability of the electrodes. The Tz degradation was fitted to pseudo-first-order kinetics with a rate constant of 0.124 min-1. The findings demonstrated that Cu-MOF/Pt has a good electrochemical efficiency of 99 %, and the electrode recovery, reproducibility, and reusability have all been researched. A computational investigation used the Lee/Yang/Parr (B3LYP) level, 6-311++ G(d,p), as the basis for function set calculation to demonstrate the electrochemical destruction of Tz by the HClO radical. The results showed that the experimentally predicted mechanism and the theoretically determined mechanism agreed remarkably well. According to the proposed mechanism, Cu-MOF functions as a catalyst in the degradation of Tz, where it discharges water to produce HO radicals, which are physically adsorbed on the Cu-MOF/Pt surface. Cu-MOF(HO) combines with Cl ions presence in water to form Cu-MOF(HClO) which attacks Tz dye in the azo bond (–N=N–) and degrades it into CO2 and H2O.

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