单线态氧
催化作用
降级(电信)
化学
密度泛函理论
氧气
光化学
电子转移
化学工程
无机化学
计算化学
有机化学
计算机科学
电信
工程类
作者
Huanqi Chen,Zheng Liu,Xingjin Yang,Peihai He,Chunxue Shi,Qingge Feng,Liwen Xiao
标识
DOI:10.1016/j.cej.2023.143839
摘要
In this study, a porous carbon catalyst (Co1(MgO)1/C) derived from the idea of "reducing metal element/irreducible oxides" was successfully synthesized, characterized and used to activate PMS for removing metronidazole (MNZ) from water. The Co1(MgO)1/C presented excellent catalytic performances on PMS activation for MNZ removal in a wide pH range and complex water environments. Various advanced characterization technologies and density functional theory (DFT) calculations indicated that Co1(MgO)1/C possessed a high concentration of oxygen vacancies (OV) (OV = 51.3%), which successfully induced the triple degradation pathway of MNZ in the Co1(MgO)1/C-PMS systems. Further analysis revealed that the triple MNZ degradation pathway was dominated by singlet oxygen, and supplemented by sulfate radical and electron transfer. Consequently, this study not only expands the existing synthesis methods for high-concentration OV materials but also provides new insights into the directional regulation of non-radical degradation pathways of pollutants.
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