Synthesis and morphological transformation of BaWO4 crystals: Experimental and theoretical insights
Visualitza/
Impacte
Scholar |
Altres documents de l'autoria: Carvalho de Oliveira, Marisa; Gracia, Lourdes; Costa Nogueira, Içamira; Do Carmo Gurgel, Maria Fernanda; Rivas Mercury, José Manuel; Longo, Elson; Andres, Juan
Metadades
Mostra el registre complet de l'elementcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/7013
comunitat-uji-handle3:10234/8638
comunitat-uji-handle4:
INVESTIGACIONMetadades
Títol
Synthesis and morphological transformation of BaWO4 crystals: Experimental and theoretical insightsAutoria
Data de publicació
2016Editor
ElsevierISSN
0272-8842; 1873-3956Cita bibliogràfica
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.Tipus de document
info:eu-repo/semantics/articleVersió de l'editorial
http://www.sciencedirect.com/science/article/pii/S0272884216303674Versió
info:eu-repo/semantics/publishedVersionParaules clau / Matèries
Resum
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. [-]
Publicat a
Ceramics International Volume 42, Issue 9, July 2016, Pages 10913–10921Drets d'accés
© 2016 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
info:eu-repo/semantics/openAccess
info:eu-repo/semantics/openAccess
Apareix a les col.leccions
- QFA_Articles [826]
Els següents fitxers sobre la llicència estan associats a aquest element: