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A 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 chromium-doped SnO<inf>2</inf> materials
ArticleAbstract: Density functional theory (DFT) and generalised gradient approximation have been employed to study ePalabras claves:Autores:Patricio Puchaicela, Richard Rivera, Stashans A.Fuentes:scopusDefects in TiO<inf>2</inf> crystals
Conference ObjectAbstract: TiO2 crystals, anatase and rutile, have been studied using Density Functional Theory (DFT) and the GPalabras claves:Acceptor-type defect, impurity doping, Physical propertiesAutores:Richard Rivera, Stashans A.Fuentes:scopusDensity functional theory study of Al-doped hematite
ArticleAbstract: Using first-principles density functional theory calculations within the generalized gradient approxPalabras claves:Autores:A. Stashans, H. Pinto, Henry P. Pinto, L. Piedra, Lorena Piedra, R. Rivera Escobar, Richard Rivera, Stashans A.Fuentes:googlerraaescopusEstudio de propiedades electrónicas de hematita con defectos puntuales
Bachelor ThesisAbstract: Los efectos producidos en el cristal de hematita (α-Fe2O3) debido a la presencia de defectos puntualPalabras claves:Cristales, Cristales - defectos, SEMICONDUCTORESAutores:Arvids Stashans, Richard Augusto Rivera Escobar, Richard RiveraFuentes:rraaeF-center impact on photoelectrochemical properties in hematite
ArticleAbstract: Structural and optical properties of F-center (two electrons trapped by an oxygen vacancy) defect inPalabras claves:F-center, optical properties, Structure, α-Fe O 2 3Autores:Richard Rivera, Stashans A.Fuentes:scopusFirst-principles calculations of chromium oxide containing impurities
Conference ObjectAbstract: First-principles calculations based on the Density Functional Theory (DFT) within the Generalized GrPalabras claves:Autores:A. Stashans, Frank Maldonado, R. Rivera Escobar, Richard Rivera, Soraya Jácome, Stashans A.Fuentes:googlerraaescopusFirst-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:googlescopus