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dc.contributor.authorPereira, Paula Fabiana dos Santos
dc.contributor.authorGouveia, A. F.
dc.contributor.authorAssis, Marcelo de
dc.contributor.authorOliveira, Regiane
dc.contributor.authorPinatti, I. M.
dc.contributor.authorPenha, M.
dc.contributor.authorGonçalves, R. F.
dc.contributor.authorGracia, L.
dc.contributor.authorAndrés, Juan
dc.contributor.authorLongo, Elson
dc.identifier.citationPhys. Chem. Chem. Phys., 2018,20, 1923-1937ca_CA
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 1C) by a microwave hydrothermal method. Then, the samples were investigated by X-ray diffraction with Rietveld refinement analysis, fieldemission 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 1C were attributed to oxygen vacancies in the [WO6] and [ZnO6] clusters, causing a red shift of the spectra. The ZnWO4 nanocrystals obtained at 160 1C 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.ca_CA
dc.format.extent15 p.ca_CA
dc.publisherRoyal Society of Chemistryca_CA
dc.relation.isPartOfPhys. Chem. Chem. Phys., 2018, 20ca_CA
dc.titleZnWO4 nanocrystals: synthesis, morphology, photoluminescence and photocatalytic propertiesca_CA
dc.relation.projectIDFAPESP 2012/14004-5, 2013/ 07296-2, 2013/26671-9, 2013/23995-8, 2014/14171-4, 2017/13008-0 and 2017/07240-8 ; CNPq; 479644/2012-8, 350711/2012-7, 304531/2013-8 and 151136/2013-0 ; PrometeoII/2014/022 ; ACOMP/2014/ 270 ; ACOMP/2015/1202 ; CTQ2015-65207-Pca_CA

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