Mostrando 3 resultados de: 3
Filtros aplicados
Publisher
Journal of Theoretical and Computational Chemistry(1)
Lecture Notes in Electrical Engineering(1)
Surface Review and Letters(1)
Área temáticas
Química inorgánica(2)
Ingeniería y operaciones afines(1)
Química analítica(1)
Química física(1)
Área de conocimiento
Ciencia de materiales(2)
Química teórica(1)
Teoría del funcional de la densidad(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:googlerraaescopusDopamine adsorption configurations on anatase (101) surface
ArticleAbstract: Present work is based on the density functional theory (DFT) and generalized gradient approximationPalabras claves:Adsorption, dft+u, dopamine, TiO anatase 2Autores:A. Stashans, Castillo P., D. Castillo Malla, Darwin Patricio Castillo Malla, F. Marcillo, Ing. Quím. Freddy Marcillo Rivadeneira, Stashans A.Fuentes:googlerraaescopusQuantum chemical study of point defects in tin dioxide
Conference ObjectAbstract: First-principles calculations based on the density functional theory (DFT) within the generalized grPalabras claves:., Electrical conductivity, Electronic properties, impurity doping, MicrostructureAutores:A. Stashans, Alexander Chamba, Ing. Quím. Freddy Marcillo Rivadeneira, L. Puchaicela Huaca, Patricio Puchaicela, R. Rivera Escobar, Richard Rivera, Stashans A.Fuentes:rraaescopus