Freezing Distortions and Photoluminescence Property in PbMoO4 Micro Octahedrons: An Experimental and Theoretical Study

dc.contributorUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2015-05-15T13:30:15Z
dc.date.available2015-05-15T13:30:15Z
dc.date.created2015-05-15T13:30:15Z
dc.date.issued2013
dc.identifierCurrent Physical Chemistry, v. 4, n. 1, p. 4-14, 2013.
dc.identifier1877-9476
dc.identifierhttp://hdl.handle.net/11449/123467
dc.identifier9558299312183852
dc.identifier1807399214239200
dc.identifier9848311210578810
dc.description.abstractIn this paper, we report a detailed structural and electronic characterization of PbMoO4 crystals by using a conventional hydrothermal (CH) method. The samples were characterized by X-ray diffraction (XRD), Fourier transform Raman (FT-Raman), field-emission gun scanning electron microscopy (FEG-SEM) and photoluminescence (PL) measurements. In addition, first-principles quantum mechanical calculations based on the density functional theory were employed in order to understand the band structure and density of states for the PbMoO4. Analysis of both theoretical and experimental results allows to rationalize the role of order-disorder effects in the observed green PL emissions in these ordered powders.
dc.languageeng
dc.relationCurrent Physical Chemistry
dc.rightsAcesso restrito
dc.sourceCurrículo Lattes
dc.subjectDFT calculations
dc.subjectHydrothermal synthesis
dc.subjectLead molybdate
dc.subjectPhotoluminescence
dc.titleFreezing Distortions and Photoluminescence Property in PbMoO4 Micro Octahedrons: An Experimental and Theoretical Study
dc.typeArtículos de revistas


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