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Efficient degradation of dye wastewater with a novel tribocatalytic process initiated by CQDs-Bi2MoO6 catalyst: Preparation, degradation, kinetics, DFT calculations and mechanism

Baoxiu Zhao, Yulu Xing, Yiran Xue, Ning Chen, Chaojun Sun, Mengfan Li, Huanxin Shi, Bingrui Ma, Songxue Wang, Yizhen Tang, Jie Liu

2025Chemical Engineering Journal20 citationsDOIOpen Access PDF

Abstract

Tribocatalysis is becoming a novel method to decompose organic pollutants. In this work, an efficient tribocatalyst CQDs-Bi 2 MoO 6 was prepared and evaluated by structural characterizations (SEM, TEM, XRD, BET, XPS, UV–vis DRS and PL) and electrical analysis (EIS, LSV, Mott-Schottky), and results displayed that the optimal dosage of CQDs was 5 wt% (namely CQDs(5 wt%)-Bi 2 MoO 6 ). Then, CQDs-Bi 2 MoO 6 tribocatalytic degradation of RhB was investigated detailedly, and results showed that almost 100% RhB was degraded within 5 h under the optimum. Intermediates were detected via LC-MS/MS and their toxicity was evaluated with T.E.S.T software. Major active free radicals were detected with ESR and scavengers’ test. Both of them proved the presence of h + , •O 2 – and •OH during tribocatalytic degradation and meanwhile the contribution order of the above-mentioned radicals was as follows: h + > •O 2 – > •OH. DFT calculations and tribocatalytic degradation kinetics were also investigated, as well. DFT calculations not only provided the orbit structure of CQDs(5 wt%)-Bi 2 MoO 6 , but also deduced the probable attack position of RhB molecule. And based on it, tribocatalytic mechanism involved in friction → electrons’ transition and transfer → forming h + , •O 2 – and •OH → decomposing RhB were proposed, providing some valuable insights for the application of tribocatalytic process to wastewater treatment.

Topics & Concepts

Degradation (telecommunications)KineticsWastewaterCatalysisMechanism (biology)Process (computing)Chemical engineeringChemistryProcess engineeringEnvironmental scienceEnvironmental engineeringComputer scienceOrganic chemistryEngineeringPhysicsQuantum mechanicsOperating systemTelecommunicationsNanomaterials for catalytic reactionsAdvanced Photocatalysis TechniquesTiO2 Photocatalysis and Solar Cells
Efficient degradation of dye wastewater with a novel tribocatalytic process initiated by CQDs-Bi2MoO6 catalyst: Preparation, degradation, kinetics, DFT calculations and mechanism | Litcius