新型独立TiN阳极高效电化学分解磺胺甲恶唑

Guoshuai Liu , Ming Liu , Han Shi , Hao Jia , Hua Zou , Nan Tao
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引用次数: 1

摘要

电化学氧化(EO)工艺在废水处理领域的应用越来越受欢迎,并且这种工艺非常需要坚固和可持续的电极材料。在这些材料中,氮化钛(TiN)由于其独特的电子结构而成为一种有前途的候选者,其具有类似于金属的理想导电性,并且具有接近陶瓷电极的良好稳定性。本研究旨在开发一种独立的TiN电极,用于EO治疗难治性抗生素,如磺胺甲恶唑(SMX),并评估其去除SMX的效果。结果表明,TiN电极实现了高的SMX去除率(60分钟去除率100%,kobs=0.031 min-1)。密度泛函理论(DFT)计算用于解释潜在的机制,揭示了水在TiN表面氧化产生·OH而不是O2,使TiN成为难降解SMX矿化的优秀材料。此外,DFT和LC-MS/MS结果表明,·OH通过H提取和电子转移途径诱导SMX的降解途径,并通过DFT计算确定了降解中间体的活性位点。总的来说,这些发现为开发使用新型独立TiN阳极材料的有效且环保的净水方法提供了有价值的见解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Efficient electrochemical decomposition of sulfamethoxazole using a novel free-standing TiN anode

Efficient electrochemical decomposition of sulfamethoxazole using a novel free-standing TiN anode

The utilization of electrochemical oxidation (EO) processes has become increasingly popular in the field of wastewater treatment, and the robust and sustainable electrode materials were highly desirable for such processes. Among these materials, titanium nitride (TiN) has emerged as a promising candidate due to its unique electronic configuration, which impart ideal electrical conductivity similar to metals, and good stability approaching that of ceramic electrode. This study aimed to develop a free-standing TiN electrode for the EO treatment of refractory antibiotics such as sulfamethoxazole (SMX), and to evaluate its efficacy for SMX removal. The results showed that the TiN electrode achieved a high SMX removal rate (100% removal at 60 min, kobs = 0.031 min−1). Density functional theory (DFT) calculations were utilized to explicate the underlying mechanism, revealing that water oxidation on the TiN surface generates ·OH rather than O2, making TiN an excellent material for the mineralization of recalcitrant SMX. Additionally, both the DFT and LC-MS/MS results demonstrated that the degradation pathway of SMX was induced by ·OH through H-abstraction and electron-transfer pathway, and the active sites responsible for the degradation intermediates were determined by DFT calculation. Overall, these findings provide valuable insights into the development of effective and environmental benign water purification method using novel, free-standing TiN anode material.

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