Efficient peroxymonosulfate activation by CuO-Fe2O3/MXene composite for atrazine degradation: Performance, coexisting matter influence and mechanism

CuO-Fe2O3/MXene was fabricated using a rapid microwave hydrothermal method and used for the enhanced peroxymonosulfate (PMS) activation and atrazine (ATZ) degradation. The ATZ degradation rate could reach up to nearly 100% within 60 min at pH = 6.4, with low dosage for CuO-Fe2O3/5% MXene (0.1 g.L-1) and PMS (0.37 mM). Experimental results and DFT calculations showed that coexisting matter had little influence on ATZ degradation at low concentrations, indicating the excellent anti-interference capability of the system. Circulation and interaction of Fe(III)/ Fe(II) and Cu(II)/ Cu(I) produced SO4 center dot- and center dot OH, O* and SO5 center dot- could participate in the formation of O-1(2). Then, ATZ degradation pathways, including dealkylation, dichlorination-hydroxylation, alkyl hydroxylation, alkyl oxidation, olefination, and deamination-hydroxylation processes, were proposed based on DFT calculations and ESI-QTOF-MS/MS data. QSAR analysis illustrated that most intermediates were more environmentally friendly than ATZ. This study developed novel materials with superior catalytic performance for elimination of refractory organic pollutants in wastewater.

Automated summary

CuO-Fe2O3/MXene was fabricated for enhanced PMS activation and ATZ degradation. The material showed excellent catalytic performance and anti-interference capability. ATZ degradation pathways were proposed based on DFT calculations and experimental data, with intermediates being more environmentally friendly.