Mostrando 5 resultados de: 5
Filtros aplicados
Publisher
Lecture Notes in Engineering and Computer Science(3)
AIP Advances(1)
Journal of Theoretical and Computational Chemistry(1)
Área temáticas
Química física(3)
Química inorgánica(3)
Química orgánica(2)
Ingeniería y operaciones afines(1)
Química analítica(1)
DFT calculations of tin dioxide crystals containing heavily-doped fluorine
ArticleAbstract: First-principles calculations based on the density functional theory (DFT) within the generalized grPalabras claves:DFT, Fluorine doping, n-type conductivity, SnO 2Autores:A. Stashans, F. Marcillo, Ing. Quím. Freddy Marcillo Rivadeneira, Stashans A.Fuentes:googlerraaescopusDoping of SnO2 with H atoms: An alternative way to attain n-type conductivity
ArticleAbstract: We propose an explanation for the origin of n-type electrical conductivity in SnO2 based on the resPalabras claves:DFT, H-doping, SnO2Autores:A. Stashans, L. Villamagua ConzaFuentes:rraaePeriodic 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:rraaescopusQuantum chemical study of defective chromium oxide
Conference ObjectAbstract: Through the use of first-principles calculations based on the Density Functional Theory (DFT) withinPalabras claves:DFT, impurity doping, MicrostructureAutores:A. Stashans, Frank Maldonado, R. Rivera Escobar, Richard Rivera, Soraya Jácome, Stashans A.Fuentes:googlerraaescopusSnO2 Physical and Chemical Properties due to the impurity doping
ArticleAbstract: Abstract�First-principles calculations based on the Density Functional Theory (DFT) within the generPalabras claves:DFTAutores:A. Stashans, L. Puchaicela Huaca, R. Rivera EscobarFuentes:rraae