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dc.contributor.authorPereira, P. F. S.
dc.contributor.authorGouveia, A. F.
dc.contributor.authorAssis, M.
dc.contributor.authorde Oliveira, R. C.
dc.contributor.authorPinatti, I. M.
dc.contributor.authorPenha, M.
dc.contributor.authorGoncalves, R. F.[UNIFESP]
dc.contributor.authorGracia, L.
dc.contributor.authorAndres, J.
dc.contributor.authorLongo, E.
dc.identifier.citationPhysical Chemistry Chemical Physics. Cambridge, v. 20, n. 3, p. 1923-1937, 2018.
dc.description.abstractThe present joint experimental and theoretical work provides in-depth understanding on the morphology and structural, electronic, and optical properties of ZnWO4 nanocrystals. Monoclinic ZnWO4 nanocrystals were prepared at three different temperatures (140, 150, and 160 degrees C) by a microwave hydrothermal method. Then, the samples were investigated by X-ray diffraction with Rietveld refinement analysis, field-emission scanning electron microscopy, transmission electronic microscopy, micro-Raman and Fourier transform infrared spectroscopy, ultraviolet-visible spectroscopy, and photoluminescence measurements. First-principles theoretical calculations within the framework of density functional theory were employed to provide information at the atomic level. The band structure diagram, density of states, Raman and infrared spectra were calculated to understand the effect of structural order-disorder on the properties of ZnWO4. The effects of the synthesis temperature on the above properties were rationalized. The band structure revealed direct allowed transitions between the VB and CB and the experimental results in the ultraviolet-visible region were consistent with the theoretical results. Moreover, the surface calculations allowed the association of the surface energy stabilization with the temperature used in the synthesis of the ZnWO4 nanocrystals. The photoluminescence properties of the ZnWO4 nanocrystals prepared at 140, 150, and 160 degrees C were attributed to oxygen vacancies in the [WO6] and [ZnO6] clusters, causing a red shift of the spectra. The ZnWO4 nanocrystals obtained at 160 degrees C exhibited excellent photodegradation of Rhodamine under ultraviolet light irradiation, which was found to be related to the surface energy and the types of clusters formed on the surface of the catalyst.en
dc.description.sponsorshipFundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq)
dc.description.sponsorshipCoordenacao de Aperfeicoamento de Pessoal de Nivel Superior
dc.description.sponsorshipMinisterio de Economia y Competitividad (Spain)
dc.description.sponsorshipPrograma de Cooperacion Cientifica con Iberoamerica (Brasil) of Ministerio de Educacion
dc.description.sponsorshipMinisterio de Economia y Competitividad, "Salvador Madariaga'' program
dc.publisherRoyal Soc Chemistry
dc.relation.ispartofPhysical Chemistry Chemical Physics
dc.rightsAcesso restrito
dc.titleZnWO4 nanocrystals: synthesis, morphology, photoluminescence and photocatalytic propertiesen
dc.description.affiliationFed Univ Sao Carlos UFSCar, CDMF, LIEC, Chem Dept, POB 676, BR-13565905 Sao Carlos, SP, Brazil
dc.description.affiliationFed Univ Sao Paulo UNIFESP, BR-09972270 Diadema, SP, Brazil
dc.description.affiliationUniv Valencia, Dept Phys Chem, E-46100 Burjassot, Spain
dc.description.affiliationUJI, Dept Analyt & Phys Chem, Castellon de La Plana 12071, Spain
dc.description.affiliationUnifespFed Univ Sao Paulo UNIFESP, BR-09972270 Diadema, SP, Brazil
dc.description.sponsorshipIDFAPESP: 2012/14004-5, 2013/07296-2, 2013/26671-9, 2013/23995-8, 2014/14171-4, 2017/13008-0, 2017/07240-8
dc.description.sponsorshipIDCNPq: 479644/2012-8, 350711/2012-7, 304531/2013-8, 151136/2013-0
dc.description.sponsorshipIDGeneralitatValenciana: PrometeoII/2014/022, ACOMP/2014/270, ACOMP/2015/1202
dc.description.sponsorshipIDMinisterio de Economia y Competitividad (Spain) : CTQ2015-65207-P
dc.description.sponsorshipIDPrograma de Cooperacion Cientifica con Iberoamerica (Brasil) of Ministerio de Educacion: PHBP14-00020]
dc.description.sponsorshipIDMinisterio de Economia y Competitividad, "Salvador Madariaga'' program: PRX15/00261
dc.description.sourceWeb of Science

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