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dc.contributor.authorOliveira, Regiane
dc.contributor.authorAssis, Marcelo de
dc.contributor.authorTeixeira, Mayara Mondego
dc.contributor.authorPenha da Silva, Maya Dayana
dc.contributor.authorSiu Li, Máximo
dc.contributor.authorAndrés, Juan
dc.contributor.authorGracia Edo, Lourdes
dc.contributor.authorLongo, Elson
dc.date.accessioned2016-10-17T11:28:34Z
dc.date.available2016-10-17T11:28:34Z
dc.date.issued2016-05-19
dc.identifier.citationOLIVEIRA, Regiane Cristina de, et al. An Experimental and Computational Study of β-AgVO3: Optical Properties and Formation of Ag Nanoparticles. The Journal of Physical Chemistry C, 2016ca_CA
dc.identifier.issn1932-7447
dc.identifier.urihttp://hdl.handle.net/10234/163627
dc.description.abstractThis article aims to gather together in one place and for first time the formation process of Ag nanoparticles (NPs) on β-AgVO3 crystals, driven by an accelerated electron beam from an electronic microscope under high vacuum. Synthesis and optical properties of β-AgVO3 are reported, and the relationship between structural disorder and photoluminescence emissions is discussed. First principle calculations, within a QTAIM framework, have been carried out to provide a deeper insight and understanding of the observed nucleation and early evolution of Ag nanoparticles (NPs) on β-AgVO3 crystals. The Ag nucleation and formation is a result of structural and electronic changes of the [AgO5] and [AgO6] clusters, consistent with Ag metallic formation.ca_CA
dc.description.sponsorShipThe authors are grateful to PrometeoII/2014/022 and ACOMP/2014/270 (GeneralitatValenciana), Ministerio de Economia y Competitividad (Spain), CTQ2012-36253-C03-02 and PRX15/00261, Spanish Brazilian program (PHBP14-00020), FAPESP (FAPESP-CDMF: 2013/07296-2), CNPq and CAPES (for financially supporting this research), and special thanks to Dr. Alan Silva de Menezes of Department of Physics of Universidade Federal do Maranhão for the by Rietveld refinement. L.G. acknowledges Banco Santander (Becas Iberoamérica: Jóvenes profesores e investigadores). J.A. acknowledges Ministerio de Economia y Competitividad, “Salvador Madariaga” program, PRX15/00261. We also acknowledge Servei Informática, Universitat Jaume I, for the generous allotment of computer time.ca_CA
dc.format.extent38 p.ca_CA
dc.format.mimetypeapplication/pdfca_CA
dc.language.isoengca_CA
dc.publisherACS Publicationsca_CA
dc.relation.isPartOfThe Journal of Physical Chemistry C, 2016, vol. 120, n. 22ca_CA
dc.rightsCopyright © 2016 American Chemical Societyca_CA
dc.subjectMetal nanoparticlesca_CA
dc.subjectNanoparticlesca_CA
dc.subjectNucleationca_CA
dc.subjectOptical propertiesca_CA
dc.subjectSilver oxidesca_CA
dc.subjectAccelerated electron beamca_CA
dc.subjectComputational studiesca_CA
dc.subjectElectronic changesca_CA
dc.subjectElectronic microscopesca_CA
dc.subjectFirst principle calculationsca_CA
dc.subjectFormation processca_CA
dc.subjectPhotoluminescence emissionca_CA
dc.subjectStructural disordersca_CA
dc.titleAn Experimental and Computational Study of β-AgVO3: Optical Properties and Formation of Ag Nanoparticlesca_CA
dc.typeinfo:eu-repo/semantics/articleca_CA
dc.identifier.doihttp://dx.doi.org/10.1021/acs.jpcc.6b02840
dc.rights.accessRightsinfo:eu-repo/semantics/openAccessca_CA
dc.relation.publisherVersionhttp://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b02840ca_CA


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