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Change in the electrical conductivity of SnO2 crystal from n-type to p-type conductivity
ArticleAbstract: The long-sought fully transparent technology will not come true if the n region of the p-n junctionPalabras claves:Crystal structureAutores:A. Stashans, C. Liu, L. Villamagua Conza, M. Carini, P. Lee, Y. LiuFuentes:rraaeBand gap engineering of graphene through quantum confinement and edge distortions
ArticleAbstract: Based on the density functional theory approach we explore the chances endured by energy gap (EG) ofPalabras claves:density functional theory, Graphene, NanoribbonsAutores:A. Stashans, C. Gomez, Carini M., Cristian Vacacela Gomez, L. Villamagua Conza, Luis Villamagua, M. Carini, Stashans A.Fuentes:googlerraaescopusA new insight on the role of Mg in calcite
ArticleAbstract: Magnesium is a key determinant in calcite (CaCO3) mineralization having a notable significance uponPalabras claves:CaCO 3Autores:A. Stashans, G. ChambaFuentes:rraaeA quantum mechanical study of La-doped Pb(Zr,Ti)O-3
ArticleAbstract: Lanthanum-modified Pb(Zr,Ti)O3 (PZT) crystals have been investigated applying a quantum-mechanical aPalabras claves:electronic and structural property, fock method, hartree, lanthanum, Morphotropic phase boundary, pztAutores:A. Stashans, F. MaldonadoFuentes:rraaeA quantum-chemical approach to Ni and Fe codoping in SnO2
ArticleAbstract: © 2016 World Scientific Publishing Company Density functional theory and generalized gradient approxPalabras claves:CorreAutores:A. StashansFuentes:rraaeA quantum-chemical study of oxygen-vacancy defects in PbTiO3 crystals
ArticleAbstract: Investigation of an oxygen vacancy and F center in the cubic and tetragonal lattices of PbTiO3 crystPalabras claves:electronic structureAutores:A. Stashans, P. Medina, S SerranoFuentes:rraaeA quantum-chemical study of phosphor impurity in BaTiO3 crystal
ArticleAbstract: Structural and electronic effects produced by a P impurity in the cubic and tetragonal BaTiO3 latticPalabras claves:BaTiO 3Autores:A. Stashans, G. VidalFuentes:rraaeDFT calculations of tin dioxide crystals containing heavily-doped fluorine
ArticleAbstract: First-principles calculations based on the density functional theory (DFT) within the generalized grPalabras claves:DFT, Fluorine doping, n-type conductivity, SnO 2Autores:A. Stashans, F. Marcillo, Ing. Quím. Freddy Marcillo Rivadeneira, Stashans A.Fuentes:googlerraaescopusDFT modelling of hydrogen sulphide adsorption on ?-Cr2O3 (0001) surface
ArticleAbstract: Density functional theory has been used to pbkp_redict properties of hydrogen sulphide, H2S, adsorptPalabras claves:density functional theoryAutores:A. Stashans, F. MaldonadoFuentes:rraaeDFT study of chromium-doped SnO2 materials
ArticleAbstract: Density functional theory (DFT) and generalised gradient approximation have been employed to study ePalabras claves:Autores:A. Stashans, L. Puchaicela Huaca, R. Rivera EscobarFuentes:rraae