Magnetic bimetallic Fe and Cu-loaded N-doped biochar for the activation of peroxomonosulfate for tetracycline degradation: DFT calculations and mechanism analysis

[Display omitted] •Fe/Cu@NBC800 are prepared by full impregnation and one-step pyrolysis.•Fe/Cu@NBC800 exhibits reusability and a notable resistance to interference.•Fe/Cu@NBC800 is magnetically recyclable.•In addition to radical and non-radical pathways, direct electron transfer also plays a role....

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Veröffentlicht in:Applied surface science 2025-01, Vol.679, p.161158, Article 161158
Hauptverfasser: Huang, Jie, Zheng, Haoyuan, Xu, Hong, Mo, Qianyuan, Zhang, Xi, Sheng, Guishang
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Sprache:eng
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Zusammenfassung:[Display omitted] •Fe/Cu@NBC800 are prepared by full impregnation and one-step pyrolysis.•Fe/Cu@NBC800 exhibits reusability and a notable resistance to interference.•Fe/Cu@NBC800 is magnetically recyclable.•In addition to radical and non-radical pathways, direct electron transfer also plays a role. The synthesis of the Fe and Cu-loaded N-doped biochar was accomplished by using pomelo peel as the biochar feedstock. The surface morphology and structure of the catalyst were analyzed via several characterization methods, such as SEM, TEM, BET, XRD, FTIR, Raman, XPS, and VSM. This study investigated the influence of various factors, including catalyst pyrolysis temperature, catalyst concentration, PMS dosage, initial pH, reaction temperature, inorganic anions, and humic acid, on the degradation of TC. The main reactive oxygen species (ROS) in the system were superoxide radicals (O2−) according to quenching tests and electron paramagnetic resonance (EPR) analysis. Additionally, sulfate radicals (SO4−), hydroxyl radicals (OH), and nonradical single-linear state oxygen (1O2) were also found to participate in the degradation of TC. In addition, electrochemical impedance spectroscopy (EIS) and linear scanning voltammetry (LSV) analyses were used to determine the presence of nonradical pathways of direct electron transfer in the system. High-performance liquid chromatography–mass spectrometry (HPLC–MS) coupled with density functional theory (DFT) was used to identify the degradation intermediates of TC and to propose its degradation pathways. An evaluation of the toxicity of the intermediate substances was conducted via the toxicity estimation software tool (TEST) and molecular docking simulation.
ISSN:0169-4332
DOI:10.1016/j.apsusc.2024.161158