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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:googlescopusA quantum chemical analysis of Zn and Sb doping and co-doping in SnO<inf>2</inf>
ArticleAbstract: This work presents a quantum chemical study of Zn and Sb doping and co-doping in SnO2 carried out byPalabras claves:Autores:Carini M., Castillo P., Luis Villamagua, Richard RiveraFuentes:googlescopusDFT Analysis of the Adsorption of Phenol on the Nonpolar (1010) ZnO Surface
ArticleAbstract: In this work, a study of the molecular adsorption and geometry of phenol on the nonpolar (1010) ZnOPalabras claves:Autores:Frank Maldonado, Luis Villamagua, Richard RiveraFuentes:scopusDFT modelling of ethanol on BaTiO <inf>3</inf> (0 0 1) surface
ArticleAbstract: The Density Functional Theory (DFT) within the Generalized Gradient Approximation (GGA) approach andPalabras claves:BaTiO (0 0 1) 3, density of states, DFT + U, Electron localization function, ethanol, vdWAutores:Frank Maldonado, Jimmy Maldonado, Luis Villamagua, Richard RiveraFuentes:scopusDFT 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:googlescopusFirst-principles spin-polarized calculations on the adsorption of ethanethiol molecule upon the nonpolar (10 10) ZnO surface
ArticleAbstract: The study of the molecular adsorption of ethanethiol upon the nonpolar (010 ¯ ) ZnO surface has beenPalabras claves:DFT + U, Dissociative chemisorption, Ethanethiol, Oxygen vacancy, ZnO surfaceAutores:Carini M., Carlos Tapia, Frank Maldonado, Jessica Cuesta, Luis Villamagua, Richard RiveraFuentes:googlescopusSchottky defects in cubic lattice of SrTiO<inf>3</inf>
ArticleAbstract: Structural and electronic properties produced by formation of Schottky defects in cubic structure ofPalabras claves:A. Oxides, D. Crystal structure, D. DefectsAutores:Luis Villamagua, Stashans A.Fuentes:googlescopusThe liquid exfoliation of graphene in polar solvents
ArticleAbstract: Graphene is the most attractive 2D nanomaterial with interesting applications from smart coating toPalabras claves:DMF, ethanol, Graphene, Liquid exfoliation, Sonication, Three-factor ANOVAAutores:Bellucci S., Caputi L.S., Carlos Tapia, Cataldo A., Cristian Vacacela Gomez, Frank Maldonado, Gabriela Viviana Tubon Usca, Luis Villamagua, Marco Guevara, Talia Tene FernándezFuentes:googlescopus