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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: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:googlescopusGeometry of dopamine adsorption on rutile (110) surface
ArticleAbstract: Density functional theory (DFT) and generalized gradient approximation (GGA) have been employed to sPalabras claves:Adsorption, band-gap narrowing, DFT + U, dopamine, TiO rutile 2Autores:A. Stashans, Castillo P., D. Castillo Malla, Darwin Patricio Castillo Malla, J. Ontaneda Rojas, Jorge Ontaneda, Stashans A.Fuentes:googlerraaescopusStudy of natural organic dyes as active material for fabrication of organic light emitting diodes
Conference ObjectAbstract: The scientific community and some sectors of industry have been working with organic dyes for succesPalabras claves:Diode, dyes, OrganicAutores:A. Guaman, A. Sánchez-Juárez, Castillo P., D. Obregón, Darwin Patricio Castillo Malla, S. EspinosaFuentes:googlescopusTwenty natural organic pigments for application in dye sensitized solar cells
Conference ObjectAbstract: In this work we present the results of a study of twenty natural pigments obtained from plants and iPalabras claves:DSSCs, Natural dye, Natural pigments, solar cellsAutores:A. Guaman, A. Sánchez-Juárez, Castillo P., D. Castillo Malla, D. Obregón, D. Obregón Calderón, Darwin Patricio Castillo Malla, S. Espinosa TapiaFuentes:googlerraaescopusPeriodic DFT study of molecular crystals
Conference ObjectAbstract: Two molecular crystals have been studied using the first-principles density functional theory calculPalabras claves:DFT, Electronic properties, molecular crystals, StructureAutores:A. Stashans, Castillo P., D. Castillo Malla, R. Rivera Escobar, Richard Rivera, Soraya Jácome, Stashans A.Fuentes:rraaescopus