Correlation between structural and electronic order-disorder effects and optical properties in ZnO nanocrystals

dc.contributor.authorLa Porta, F. A. [UNESP]
dc.contributor.authorAndres, J.
dc.contributor.authorVismara, M. V. G. [UNESP]
dc.contributor.authorGraeff, Carlos Frederico de Oliveira [UNESP]
dc.contributor.authorSambrano, Julio Ricardo [UNESP]
dc.contributor.authorLi, M. S.
dc.contributor.authorVarela, José Arana [UNESP]
dc.contributor.authorLongo, E. [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniv Jaume 1
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.description.abstractThe correlation between structural and electronic order-disorder effects in understanding the optical properties of flower-like ZnO nanocrystals synthesized by the microwave-assisted hydrothermal method at low temperatures and short times is discussed. Theoretical simulations were performed at the density functional theory level to gain a better understanding of the experimental data from X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), electron paramagnetic resonance (EPR), ultraviolet-visible diffuse reflectance (UV-vis) spectroscopy and photoluminescence (PL) measurement studies at different temperatures. The decrease in band gap values is due to the presence of intermediate states above the conduction band. These discrete levels are formed by structural and electronic disorder of tetrahedral [ZnO4] clusters which enhance the electron-hole pair.en
dc.description.affiliationUNESP, Inst Quim, BR-14801970 Araraquara, SP, Brazil
dc.description.affiliationUniv Jaume 1, Dept Analyt & Phys Chem, Castellon de La Plana 12071, Spain
dc.description.affiliationUNESP, Dept Fis FC, BR-17033360 Bauru, Brazil
dc.description.affiliationUNESP, Lab Simulacao Mol, BR-17033360 Bauru, Brazil
dc.description.affiliationUniv Sao Paulo, Dept Fis, BR-13560970 Sao Carlos, SP, Brazil
dc.description.affiliationUnespUNESP, Inst Quim, BR-14801970 Araraquara, SP, Brazil
dc.description.affiliationUnespUNESP, Dept Fis FC, BR-17033360 Bauru, Brazil
dc.description.affiliationUnespUNESP, Lab Simulacao Mol, BR-17033360 Bauru, Brazil
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.description.sponsorshipGeneralitat Valenciana
dc.description.sponsorshipMinisterio de Economia y Competitividad (Spain)
dc.description.sponsorshipPrograma de Cooperacion Cientifica con Iberoamerica (Brasil)
dc.description.sponsorshipMinisterio de Educacion
dc.description.sponsorshipIdFAPESP: 13/07296-2
dc.description.sponsorshipIdFAPESP: 13/19289-0
dc.description.sponsorshipIdCNPq: 573636/2008-7
dc.description.sponsorshipIdGeneralitat ValencianaPrometeo/2009/053
dc.description.sponsorshipIdMinisterio de Economia y Competitividad (Spain)CTQ2012-36253-C03-02
dc.description.sponsorshipIdMinisterio de EducacionPHB2009-0065 PC
dc.identifier.citationJournal Of Materials Chemistry C. Cambridge: Royal Soc Chemistry, v. 2, n. 47, p. 10164-10174, 2014.
dc.publisherRoyal Soc Chemistry
dc.relation.ispartofJournal Of Materials Chemistry C
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.titleCorrelation between structural and electronic order-disorder effects and optical properties in ZnO nanocrystalsen
dcterms.rightsHolderRoyal Soc Chemistry[4][4]
unesp.campusUniversidade Estadual Paulista (Unesp), Faculdade de Ciências, Baurupt