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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:scopusFirst-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:googlescopusDoping SnO<inf>2</inf> crystal with increasing concentrations of Zn and Sb atoms: A quantum chemical analysis
ArticleAbstract: Density functional theory (DFT) methodology was used to analyze the changes upon the physical properPalabras claves:Doping, Sb, SnO 2, ZNAutores:Carini M., Castillo P., Frank Maldonado, Luis VillamaguaFuentes:googlescopus