Visible-light-assisted heterogeneous activation of peroxymonosulfate (PMS) exhibits great potential in refractory wastewater treatment. Efficient and environmental-friendly heterogeneous catalysts are the key to drive sustainable development of the process. Herein, the glucose modified CuFeO2 (Glu/CFO) catalysts were synthesized to activate PMS and degrade oxytetracycline (OTC). The modification of glucose introduced more active functional groups on the Glu/CFO surface, the narrowed band gap and increased photogenerated electrons transfer of CuFeO2. The Glu/CFO with 0.5 g glucose possessed more superior catalytic performance than other as-prepared samples. Furthermore, the Glu/CFO-0.5 showed superior reuse performance and high material stability under long-term operation. Significantly, the photogenerated electrons effectively promoted the in-situ cycle of Fe3+ and Cu2+ to Fe2+ and Cu+ on the surface of Glu/CFO-0.5, accelerating the generation of reactive oxygen species (ROSs) and OTC degradation. The results of free radical quenching experiment and ESR demonstrated that the non-free radical pathway dominated by 1O2 was the main way of OTC degradation. Combining XPS spectra, the degradation mechanism of OTC in Vis/PMS/Glu/CFO-0.5 system was elucidated. Based on HPLC-MS analysis and DFT calculation, the possible degradation pathways of OTC were explored in depth, and the toxicity of the corresponding products was analyzed based on quantitative structure–activity relationship predictions.

中文翻译：

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葡萄糖修饰的CuFeO2在可见光辅助非均相活化过氧一硫酸盐体系中高效降解土霉素的性能、机理及DFT计算


过氧一硫酸盐 （PMS） 的可见光辅助非均相活化在耐火废水处理中表现出巨大潜力。高效、环保的非均相催化剂是推动工艺可持续发展的关键。在此，合成了葡萄糖修饰的 CuFeO2 （Glu/CFO） 催化剂以激活 PMS 并降解土霉素 （OTC）。葡萄糖的修饰在 Glu/CFO 表面引入了更多的活性官能团，缩小了带隙，并增加了 CuFeO2 的光生电子转移。葡萄糖含量为 0.5 g 的 Glu/CFO 比其他制备样品具有更优异的催化性能。此外，Glu/CFO-0.5 在长期运行下表现出优异的再利用性能和高材料稳定性。显著的，光生电子有效地促进了 Fe3+ 和 Cu2+ 在 Glu/CFO-0.5 表面向 Fe2+ 和 Cu+ 的原位循环，加速了活性氧 （ROS） 的产生和 OTC 降解。自由基猝灭实验和 ESR 结果表明，以 1O2 为主的非自由基途径是 OTC 降解的主要方式。结合XPS光谱，阐明了OTC在Vis/PMS/Glu/CFO-0.5体系中的降解机制。基于 HPLC-MS 分析和 DFT 计算，深入探究了 OTC 可能的降解途径，并基于定量构效关系预测分析了相应产物的毒性。