Listar por tema "Crystallography"
Mostrando ítems 1-5 de 5
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Anomalous oriented attachment growth behavior on SnO2 nanocrystals
Royal Society of Chemistry (2011)This work reports a detailed characterization of an anomalous oriented attachment behaviour for SnO2 nanocrystals. Our results evidenced an anisotropic growth for two identical 〈110〉 directions, which are equivalent according ... -
CaSO4 and its pressure-induced phase transitions. A density functional theory study
American Chemical Society (2012-02)Theoretical investigations concerning possible calcium sulfate, CaSO4, high-pressure polymorphs have been carried out. Total-energy calculations and geometry optimizations have been performed by using density functional ... -
Chiral Imidazolium Receptors for Citrate and Malate: The Importance of the Preorganization
American Chemical Society (2014-09)A family of simple receptors formed by two or three cationic imidazolium arms attached to a central aromatic linkage and displaying different conformational flexibility has been synthesized from the enantiopure ... -
Piezoelectric Control of the Exciton Wave Function in Colloidal CdSe/CdS Nanocrystals
American Chemical Society (2016-05-25)Using multiband k·p calculations, we show that strain-engineered piezoelectricity is a powerful tool to modulate the electron−hole spatial separation in a wide class of wurtzite CdSe/CdS nanocrystals. The inherent ... -
Toward an Understanding of Intermediate- and Short-Range Defects in ZnO Single Crystals. A Combined Experimental and Theoretical Study
American Chemical Society (2008-07)A joint use of experimental and theoretical techniques allows us to understand the key role of intermediate- and short-range defects in the structural and electronic properties of ZnO single crystals obtained by means of ...