Insights into the origin of the enhanced electrical conductivity of Pd-Sb2O3 nanoparticles: A combined experimental and theoretical study

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dc.contributor.authorGonçalves, Rosana A. [UNESP]
dc.contributor.authorKuznetsov, Aleksey
dc.contributor.authorCiapina, Eduardo G. [UNESP]
dc.contributor.authorQuade, Antje
dc.contributor.authorTeodoro, Marcio D.
dc.contributor.authorBaldan, Maurício R.
dc.contributor.authorBerengue, Olivia M. [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)
dc.contributor.institutionUniversidad Técnica Federico Santa Maria 6400
dc.contributor.institutionINP Greifswald
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)
dc.contributor.institutionNational Institute of Space Research (INPE)
dc.date.accessioned2023-07-29T13:26:46Z
dc.date.available2023-07-29T13:26:46Z
dc.date.issued2023-02-05
dc.description.abstractSupported metal nanocrystallites play a paramount role in catalysis, electrocatalysis, and gas sensing, among other fields. Although the majority of studies are focused on the modification of the composition, size and morphology of the active metallic phase to meet specific needs, the influence of the properties of the support on the overall behavior of such materials is often neglected. In a previous publication, we described for the first time the use of antimony trioxide (Sb2O3) as a new support material for Pd nanoparticles for the electrochemical oxidation of ethanol in alkaline media. Despite its high catalytic activity, information for the intrinsic fundamental properties of Pd-Sb2O3, such as the electrical conductivity and presence of defects, is still lacking. In this work, we combined both experimental techniques and theoretical simulations to gain further knowledge into some relevant physicochemical properties of the Pd-Sb2O3 system. An increase in electrical conductivity of 1000x is found in the Sb2O3 phase after the deposition of a small amount (4.9% weight) of Pd, which cannot be explained by the metallic phase; rather, oxygen vacancies in the Sb2O3 (as indicated by photoluminescence experiments) are likely the origin of such behavior. Theoretical calculations performed by density functional theory show that oxygen vacancies not only lead to distortion in chemical bonds but also change the overall reactivity of the system, corroborating X-ray photoelectron spectroscopy and electrochemical experiments.en
dc.description.affiliationDepartment of Physics São Paulo State University (UNESP) School of Engineering, CEP 12.516-410, Guaratinguetá
dc.description.affiliationDepartment of Chemistry Universidad Técnica Federico Santa Maria 6400, Santiago
dc.description.affiliationDepartment of Chemistry and Energy School of Engineering São Paulo State University (UNESP), CEP 12516-410 Guaratinguetá
dc.description.affiliationINP Greifswald, Felix-Hausdorff-Str.2
dc.description.affiliationDepartamento de Física Universidade Federal de São Carlos, SP
dc.description.affiliationPDM3A - Department of Space Engineering and Technology National Institute of Space Research (INPE), CEP 12.227-010, São José dos Campos
dc.description.affiliationUnespDepartment of Physics São Paulo State University (UNESP) School of Engineering, CEP 12.516-410, Guaratinguetá
dc.description.affiliationUnespDepartment of Chemistry and Energy School of Engineering São Paulo State University (UNESP), CEP 12516-410 Guaratinguetá
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipIdCNPq: #476690/ 2013-7
dc.identifierhttp://dx.doi.org/10.1016/j.jallcom.2022.167667
dc.identifier.citationJournal of Alloys and Compounds, v. 933.
dc.identifier.doi10.1016/j.jallcom.2022.167667
dc.identifier.issn0925-8388
dc.identifier.scopus2-s2.0-85140977308
dc.identifier.urihttp://hdl.handle.net/11449/247819
dc.language.isoeng
dc.relation.ispartofJournal of Alloys and Compounds
dc.sourceScopus
dc.subjectDFT study
dc.subjectEthanol electrocatalysis
dc.subjectOxygen vacancies
dc.subjectPalladium
dc.subjectSb2O3 nanostructures
dc.titleInsights into the origin of the enhanced electrical conductivity of Pd-Sb2O3 nanoparticles: A combined experimental and theoretical studyen
dc.typeArtigo
unesp.author.orcid0000-0003-0814-4319[4]
unesp.departmentFísica e Química - FEGpt

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Guaratinguetá - FEG - Faculdade de Engenharia e Ciências