Effect of Different Solvent Ratios (Water/Ethylene Glycol) on the Growth Process of CaMoO4 Crystals and Their Optical Properties

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dc.contributor.authorMarques, V. S.
dc.contributor.authorCavalcante, L. S. [UNESP]
dc.contributor.authorSczancoski, J. C.
dc.contributor.authorAlcantara, A. F. P.
dc.contributor.authorOrlandi, Marcelo Ornaghi [UNESP]
dc.contributor.authorMoraes, E.
dc.contributor.authorLongo, Elson [UNESP]
dc.contributor.authorVarela, José Arana [UNESP]
dc.contributor.authorSiu Li, M.
dc.contributor.authorSantos, M. R. M. C.
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniversidade Federal do Piauí (UFPI)
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.date.accessioned2014-05-20T15:30:22Z
dc.date.available2014-05-20T15:30:22Z
dc.date.issued2010-11-01
dc.description.abstractIn this paper, calcium molybdate (CaMoO4) crystals (meso- and nanoscale) were synthesized by the coprecipitation method using different solvent volume ratios (water/ethylene glycol). Subsequently, the obtained suspensions were processed in microwave-assisted hydrothermal/solvothermal systems at 140 degrees C for 1 h. These meso- and nanocrystals processed were characterized by X-ray diffraction (X R I)), Fourier transform Raman (FT-Raman), Fourier transform infrared (FT-IR). ultraviolet visible (UV-vis) absorption spectroscopies, held-emission gun scanning electron microscopy (FEG-SEM). transmission electron microscopy (TEM). and photoluminescence (PL) measurements. X RI) patterns and FT-Raman spectra showed that these meso- and nanocrystals have a scheelite-type tetragonal structure without the presence of deleterious phases. FT-IR spectra exhibited a large absorption band situated at around 827 cm(-1), which is associated with the Mo-O anti-symmetric stretching vibrations into the [MoO4] clusters. FEG-SEM micrographs indicated that the ethylene glycol concentration in the aqueous solution plays an important role in the morphological evolution of CaMoO4 crystals. High-resolution TEM micrographs demonstrated that the mesocrystals consist of several aggregated nanoparticles with electron diffraction patterns of monocrystal. In addition, the differences observed in the selected area electron diffraction patterns of CaMoO4 crystals proved the coexistence of both nano- and mesostructures, First-principles quantum mechanical calculations based on the density functional theory at the B3LYP level were employed in order to understand the band structure find density of states For the CaMoO4. UV-vis absorption measurements evidenced a variation in optical band gap values (from 3.42 to 3.72 cV) for the distinct morphologies. The blue and green PI. emissions observed in these crystals were ascribed to the intermediary energy levels arising from the distortions on the [MoO4] clusters clue to intrinsic defects in the lattice of anisotropic/isotropic crystals.en
dc.description.affiliationUniv Estadual Paulista, UNESP, BR-14801907 Araraquara, SP, Brazil
dc.description.affiliationUniv Fed Piaui, LIMAV CCN Quim, BR-64049550 Teresina, PI, Brazil
dc.description.affiliationUniversidade Federal de São Carlos (UFSCar), LIEC, BR-13565905 São Carlos, SP, Brazil
dc.description.affiliationUniv São Paulo, IFSC, BR-13560970 São Carlos, SP, Brazil
dc.description.affiliationUnespUniv Estadual Paulista, UNESP, BR-14801907 Araraquara, SP, 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.sponsorshipIdFAPESP: 09/50303-4
dc.format.extent4752-4768
dc.identifierhttp://dx.doi.org/10.1021/cg100584b
dc.identifier.citationCrystal Growth & Design. Washington: Amer Chemical Soc, v. 10, n. 11, p. 4752-4768, 2010.
dc.identifier.doi10.1021/cg100584b
dc.identifier.issn1528-7483
dc.identifier.lattes2305581567093057
dc.identifier.urihttp://hdl.handle.net/11449/39763
dc.identifier.wosWOS:000283631900017
dc.language.isoeng
dc.publisherAmer Chemical Soc
dc.relation.ispartofCrystal Growth & Design
dc.relation.ispartofjcr3.972
dc.relation.ispartofsjr1,154
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.titleEffect of Different Solvent Ratios (Water/Ethylene Glycol) on the Growth Process of CaMoO4 Crystals and Their Optical Propertiesen
dc.typeArtigo
dcterms.licensehttp://pubs.acs.org/page/copyright/journals/faqs.html
dcterms.rightsHolderAmer Chemical Soc
unesp.author.lattes2305581567093057
unesp.campusUniversidade Estadual Paulista (Unesp), Instituto de Química, Araraquarapt

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