Tuning the Structure of Bifunctional Pt/SmMn₂O₅ Interfaces for Promoted Low-Temperature CO Oxidation Activity

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dc.contributor.ORCID0000-0003-2698-7774 (Cho, K)
dc.contributor.ORCID0000-0001-7800-0762 (Shan, B)
dc.contributor.authorLiu, X.
dc.contributor.authorYang, J.
dc.contributor.authorShen, G.
dc.contributor.authorShen, M.
dc.contributor.authorZhao, Y.
dc.contributor.authorCho, Kyeongjae
dc.contributor.authorShan, Bin
dc.contributor.authorChen, R.
dc.contributor.utdAuthorCho, Kyeongjae
dc.contributor.utdAuthorShan, Bin
dc.date.accessioned2020-02-19T23:10:08Z
dc.date.available2020-02-19T23:10:08Z
dc.date.issued2019-01-30
dc.descriptionDue to copyright restrictions and/or publisher's policy full text access from Treasures at UT Dallas is limited to current UTD affiliates (use the provided Link to Article).
dc.descriptionSupplementary information available at publisher's website
dc.description.abstractThe interfacial structure of metal-oxide composite catalysts plays a vital role in heterogeneous catalysis, which is crucial to the adsorption and activation of reactants. Herein, the interfacial effects of bare and Fe/Co/Ni doped Pt/SmMn₂O₅ mullite oxide supported Pt clusters on CO oxidation have been investigated by first-principles based microkinetics analysis. A robust formation of Pt/Mn₂ trimer structures is demonstrated at the bifunctional interfaces irrespective of the Pt_{n} cluster's size, which can provide spatially separated sites for CO adsorption and O₂ dissociation. The binding strength of CO at the interfacial Pt sites is in the optimal range due to the charge transfer from Pt clusters to oxide, while the strong polarization of Mn₂ dimers induced by Pt clusters with stable three-dimensional morphologies can lower the energy barrier of O₂ dissociation. Based on the microkinetics analysis, the O₂ dissociation is the rate-determining step in the full CO oxidation cycle, and the introduction of Mn-Fe hetero-dimers at the interface is predicted to further enhance the low temperature CO oxidation activity of Pt/SmMn₂O₅ catalysts. © The Royal Society of Chemistry 2019.
dc.description.departmentErik Jonsson School of Engineering and Computer Science
dc.identifier.bibliographicCitationLiu, X., J. Yang, G. Shen, M. Shen, et al. 2019. "Tuning the structure of bifunctional Pt/SmMn 2 O 5 interfaces for promoted low-temperature CO oxidation activity." Nanoscale 11(17): 8150-8159, doi: 10.1039/c8nr09054h
dc.identifier.issn2040-3364
dc.identifier.issue17
dc.identifier.urihttp://dx.doi.org/10.1039/c8nr09054h
dc.identifier.urihttps://hdl.handle.net/10735.1/7284
dc.identifier.volume11
dc.language.isoen
dc.publisherRoyal Society of Chemistry
dc.rights©2019 The Royal Society of Chemistry
dc.source.journalNanoscale
dc.subjectBinary systems (Metallurgy)
dc.subjectBinding sites (Biochemistry)
dc.subjectCatalysis
dc.subjectCharge transfer
dc.subjectDimers
dc.subjectMullite
dc.subjectNickel compounds
dc.subjectOxidation
dc.subjectPlatinum compounds
dc.subjectSilicate minerals
dc.subjectLow temperature engineering
dc.subjectMetallic oxides
dc.subjectThree dimensional morphology
dc.subjectSamarium
dc.titleTuning the Structure of Bifunctional Pt/SmMn₂O₅ Interfaces for Promoted Low-Temperature CO Oxidation Activity
dc.type.genrearticle

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