Synthesis and morphological transformation of BaWO4 crystals: Experimental and theoretical insights
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Otros documentos de la autoría: Carvalho de Oliveira, Marisa; Gracia, Lourdes; Costa Nogueira, Içamira; Do Carmo Gurgel, Maria Fernanda; Rivas Mercury, José Manuel; Longo, Elson; Andres, Juan
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INVESTIGACIONMetadatos
Título
Synthesis and morphological transformation of BaWO4 crystals: Experimental and theoretical insightsAutoría
Fecha de publicación
2016Editor
ElsevierISSN
0272-8842; 1873-3956Cita bibliográfica
OLIVEIRA, Marisa Carvalho, et al. Synthesis and morphological transformation of BaWO 4 crystals: Experimental and theoretical insights. Ceramics International, 2016, vol. 42, no 9, p. 10913-10921.Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
http://www.sciencedirect.com/science/article/pii/S0272884216303674Versión
info:eu-repo/semantics/publishedVersionPalabras clave / Materias
Resumen
BaWO4 crystals have been obtained by a co-precipitation method, and their structures were characterized by X-ray diffraction and Rietveld refinement techniques, while field emission scanning electron microscopy was ... [+]
BaWO4 crystals have been obtained by a co-precipitation method, and their structures were characterized by X-ray diffraction and Rietveld refinement techniques, while field emission scanning electron microscopy was utilized to investigate the morphology of the as-synthesized aggregates. Geometries, bulk electronic properties, surface energies, and surface tension of the obtained BaWO4 crystals were evaluated using first-principles quantum mechanical calculations. A theoretical model based on the Wulff construction was introduced to explain possible crystal morphologies by tuning their surface chemistry, which is related to the relative stability of the faceted crystals. Both the experimental and theoretical data revealed the presence of (112), (001), and (100) facets with low values of surface energy in the BaWO4 crystals. The experimental morphologies of the as-synthesized samples are similar to the theoretically obtained shapes when surface energy values for the (001) and (100) surfaces are increased simultaneously. [-]
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Ceramics International Volume 42, Issue 9, July 2016, Pages 10913–10921Derechos de acceso
© 2016 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
info:eu-repo/semantics/openAccess
info:eu-repo/semantics/openAccess
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