A Joint Experimental and Theoretical Study on the Nanomorphology of CaWO4 Crystals
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Scholar |
Otros documentos de la autoría: Longo, V. M.; Gracia, Lourdes; Stroppa, Daniel G.; Cavalcante, Laécio Santos; Orlandi, Marcelo; Ramírez, Antonio J.; Leite, Edson R.; Andres, Juan; Beltran, Armando; Varela, José A.; Longo, Elson
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Mostrar el registro completo del ítemcomunitat-uji-handle:10234/9
comunitat-uji-handle2:10234/7013
comunitat-uji-handle3:10234/8638
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http://dx.doi.org/10.1021/jp205764s |
Metadatos
Título
A Joint Experimental and Theoretical Study on the Nanomorphology of CaWO4 CrystalsAutoría
Fecha de publicación
2011-08Editor
ACSISSN
1932-7447Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
http://pubs.acs.org/doi/full/10.1021/jp205764sVersión
info:eu-repo/semantics/publishedVersionResumen
By the joint use of experimental techniques such as field emission scanning electron microscopy (FEG-SEM), transmission electron microscopy (TEM), and high resolution transmission electron microscopy (HR-TEM) and ab ... [+]
By the joint use of experimental techniques such as field emission scanning electron microscopy (FEG-SEM), transmission electron microscopy (TEM), and high resolution transmission electron microscopy (HR-TEM) and ab initio theoretical calculations on the slabs surface energy with application of the Wulff construction was performed to study the shape of CaWO4 nanocrystals obtained by a microwave assisted hydrothermal (MAH) method. Under equilibrium conditions, the shape is a slightly truncated tetragonal bipyramid enclosed with eight isosceles trapezoidal surfaces of (101) (Ca-terminated) and two top squares of (001) (O-terminated). Calculated band structures and densities of states are analyzed to find the electronic structures of the different surfaces. The more pronounced elongation of the (001) facet of the experimental FIG with respect to the theoretical prediction results from the favorable interaction between hydroxyl anions and Ca exposed atoms of this surface. [-]
Publicado en
Journal of Physical Chemistry C, 2011, 115 (41)Derechos de acceso
Copyright © 2011 American Chemical Society
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