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Analysis of electrical and magnetic properties of zinc oxide: A quantum mechanical study
ArticleAbstract: Density functional theory (DFT) and generalized gradient approximation (GGA) have been employed to sPalabras claves:DFT, hydrogen, n-type electrical conductivity, Oxygen vacancy, Zinc oxideAutores:Ing. Quím. Freddy Marcillo Rivadeneira, Luis Villamagua, Stashans A.Fuentes:googlescopusDFT study of intrinsic and induced p-type conductivity of ZnO material
ArticleAbstract: Density functional theory and generalized gradient approximation including a Hubbard-like term was uPalabras claves:density functional theory, Electrical conductivity, N-type, Nitrogen doping, P-type, Zinc vacancy, ZnO materialAutores:Ing. Quím. Freddy Marcillo Rivadeneira, Luis Villamagua, Stashans A.Fuentes:googlescopusDopamine adsorption configurations on anatase (101) surface
ArticleAbstract: Present work is based on the density functional theory (DFT) and generalized gradient approximationPalabras claves:Adsorption, dft+u, dopamine, TiO anatase 2Autores:A. Stashans, Castillo P., D. Castillo Malla, Darwin Patricio Castillo Malla, F. Marcillo, Ing. Quím. Freddy Marcillo Rivadeneira, Stashans A.Fuentes:googlerraaescopus