ListarQFA_Articles por tema "Crystallography"

Mostrando ítems 1-4 de 4

    • openAccess   Anomalous oriented attachment growth behavior on SnO2 nanocrystals 

      Stroppa, Daniel G.; Montoro, Luciano A.; Beltran, Armando; Conti, Tiago G.; Da Silva, Rafael O.; Andres, Juan; Leite, Edson R.; Ramírez, Antonio J. 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 ...

    • closedAccess   CaSO4 and its pressure-induced phase transitions. A density functional theory study 

      Gracia, Lourdes; Beltran, Armando; Errandonea, Daniel; Andres, Juan 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 ...

    • openAccess   Piezoelectric Control of the Exciton Wave Function in Colloidal CdSe/CdS Nanocrystals 

      Segarra, Carlos; Climente, Juan I.; Polovitsyn, Anatolii; Rajadell Viciano, Fernando; Moreels, Iwan; Planelles, Josep 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 ...

    • closedAccess   Toward an Understanding of Intermediate- and Short-Range Defects in ZnO Single Crystals. A Combined Experimental and Theoretical Study 

      Lima, R. C.; Macario, L .R.; Espinosa, J. W. M.; Longo, V. M.; Erlo, R.; Marana, N. L.; Sambrano, Julio; Dos Santos, M. L.; De Moura, Ana Paula; Pizani, Paulo Sergio; Andres, Juan; Longo, Elson; Varela, José A. 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 ...