In this study, the iron-based metal–organic framework MIL-53(Fe) was successfully prepared by a solvent method and used as a photocatalyst for the efficient degradation of DDBAC under visible light. The morphology, structure and photocatalytic properties of MIL-53(Fe) were investigated by SEM, XRD, XPS and UV–vis DRS characterization methods. The optimum conditions for the degradation of DD pathways of DDBAC were analyzed in combination with DFT calculations. Based on molecular orbital theory and free radical quenching experiments, it was demonstrated that hydroxyl radicals were the main contributors in the oxidative degradation of DDBAC. The toxicity of DDBAC and its intermediates was evaluated by culturing Chlorella vulgaris, and the results showed that the Vis/MIL-53(Fe)/H2O2 system was capable of solution detoxification.

中文翻译：

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基于MIL-53（Fe）的非均相Vis/H2O2催化体系高效降解水中的DDBAC


在本研究中，通过溶剂法成功制备了铁基金属有机框架 MIL-53（Fe），并用作光催化剂，在可见光下高效降解 DDBAC。采用 SEM、XRD、XPS 和 UV-vis DRS 表征方法研究了 MIL-53（Fe） 的形貌、结构和光催化性能。结合 DFT 计算分析了 DDBAC 的 DD 通路降解的最佳条件。基于分子轨道理论和自由基淬灭实验，证明羟基自由基是 DDBAC 氧化降解的主要贡献者。通过培养寻常小球藻评价 DDBAC 及其中间体的毒性，结果表明 Vis/MIL-53（Fe）/H2O2 系统具有溶液解毒能力。