化学
电子顺磁共振
催化作用
光化学
氧气
双酚A
反应性(心理学)
吸附
密度泛函理论
激进的
活化能
猝灭(荧光)
热稳定性
物理化学
计算化学
有机化学
核磁共振
荧光
病理
环氧树脂
物理
替代医学
医学
量子力学
作者
Xinxin Long,Chuanping Feng,Dahu Ding,Nan Chen,Shengjiong Yang,Huanyu Chen,Xinming Wang,Rongzhi Chen
标识
DOI:10.1016/j.jhazmat.2021.126357
摘要
Oxygen vacancies (OV) play a vital role in catalytic activity. Herein, a series of MOF-derived CoFe2O4 nanomaterials with OV tuned by a simple thermal aging strategy are prepared for peroxymonosulfate (PMS) activation. Remarkably, the stability, structural and catalytic properties show dependence on the annealing temperature. The abundant surface OV and functional groups on CoFe2O4 were verified as active sites to boost catalytic activity. Based on the density functional theory (DFT) calculations, (1 1 1), (2 2 2) and (4 2 2) planes exposed at higher temperatures facilitate catalytic performance, ascribed to the intense surface adsorption energy. The quenching and electron paramagnetic resonance (EPR) experiments indicate catalysis degradation is a radical-nonradical coupling process. The reactivity between reactive oxygen species (ROS) and bisphenol A and the radical-nonradical dual degradation pathways are systematically explored by combined DFT and HPLC-MS.
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