吸附
催化作用
部分
电子转移
化学
选择性
双酚A
密度泛函理论
金属
活性炭
Atom(片上系统)
光化学
无机化学
物理化学
计算化学
立体化学
有机化学
环氧树脂
计算机科学
嵌入式系统
作者
Fei Wang,Ya Gao,Huifen Fu,Shanshan Liu,Yuwei Wei,Peng Wang,Chen Zhao,Jianfeng Wang,Chong-Chen Wang
标识
DOI:10.1016/j.apcatb.2023.123178
摘要
Fe−Co dual-atom catalyst (FeCo−DAC) with FeCo−N6 moiety anchored in the carbon skeleton is fabricated to achieve a nearly 100% electron-transfer process (ETP) for high-efficient peroxymonosulfate (PMS) activation by regulating PMS adsorption mode. The introduction of the adjacent metal site markedly boosted the reaction kinetic of bisphenol A removal by 5~10 times. The Fe−Co dual-site optimized the adsorption mode of PMS, in which electron rearrangement of the adsorbed PMS* complex is enhanced with weak stretching of O−O bond, thus driving an exclusive selectivity for ETP pathway, as demonstrated via experiments and density functional theory (DFT) calculations. Moreover, ca. 75% total organic carbon removal efficiency is achieved for the actual airport wastewater and the biodegradability (BOD5/COD) is greatly improved from 0.13 mg/L to 0.3 mg/L. This work provides new inspiration for the construction of Fenton-like catalysts with 100% ETP pathway from the perspective of finely regulating the PMS adsorption mode on catalyst.
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