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Photocatalytic activation of peroxymonosulfate by carbon quantum dots: rational regulation of surface functionality and computational insights

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dc.contributor.authorHan, W.
dc.contributor.authorLi, D.
dc.contributor.authorHu, X.
dc.contributor.authorQin, W.
dc.contributor.authorSun, H.
dc.contributor.authorWang, S.
dc.contributor.authorDuan, X.
dc.date.issued2023
dc.description.abstractCarbon quantum dots (CQDs) are emerging carbonaceous photocatalysts, but the efficiency is unsatisfactory due to a narrow visible-light response and high electron-hole recombination. In this work, we fine-tuned the surface chemistry of CQDs via selectively substituting surface carbonyl group (C¼O) with phenylhydrazine (PH). Such a modification optimized the conductivity and band structures of the derived products (CQDs-PH) with improved light absorption and separation of photogenerated electronhole pairs, leading to boosted generation of reactive oxygen species (ROS) via peroxymonosulfate (PMS) activation. In addition, the primary ROS are identified as superoxide radicals (O•–(2)) and holes, whereas O•–(2) are produced from CQDs-activated PMS rather than from dissolved oxygen. Theoretical calculations illustrate that the electrons and holes on CQDs are spatially separated due to the spontaneous surface polarization induced by PH functionalization. This study provides a feasible approach to enhancing the photocatalytic activity of CQDs for sustainable water decontamination.
dc.description.statementofresponsibilityW. Han, D. Li, X. Hu, W. Qin, H. Sun, S. Wang, X. Duan
dc.identifier.citationMaterials Today Chemistry, 2023; 30:101546-1-101546-14
dc.identifier.doi10.1016/j.mtchem.2023.101546
dc.identifier.issn2468-5194
dc.identifier.issn2468-5194
dc.identifier.orcidWang, S. [0000-0002-1751-9162]
dc.identifier.orcidDuan, X. [0000-0001-9635-5807]
dc.identifier.urihttps://hdl.handle.net/2440/140990
dc.language.isoen
dc.publisherElsevier BV
dc.relation.granthttp://purl.org/au-research/grants/arc/DE210100253
dc.rights© 2023 Elsevier Ltd. All rights reserved.
dc.source.urihttps://doi.org/10.1016/j.mtchem.2023.101546
dc.subjectCarbon quantum dots (CQDs); Photocatalysis; Superoxide radicals; DFT; Organic pollutants
dc.titlePhotocatalytic activation of peroxymonosulfate by carbon quantum dots: rational regulation of surface functionality and computational insights
dc.typeJournal article
pubs.publication-statusPublished

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