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International Journal of Modern Physics B(1)
Journal of Theoretical and Computational Chemistry(1)
Lecture Notes in Engineering and Computer Science(1)
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Ciencia de materiales(3)
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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:googlerraaescopusAnalysis of electrical and magnetic properties of zinc oxide: A quantum mechanical study
ArticleAbstract: Density functional theory (DFT) and generalized gradient approximation (GGA) have been employed to sPalabras claves:DFT, hydrogen, n-type electrical conductivity, Oxygen vacancy, Zinc oxideAutores:Ing. Quím. Freddy Marcillo Rivadeneira, Luis Villamagua, Stashans A.Fuentes:googlescopusSnO2 physical and chemical properties due to the impurity doping
Conference ObjectAbstract: First-principles calculations based on the Density Functional Theory (DFT) within the generalized grPalabras claves:DFT, impurity doping, Point defectsAutores:Ing. Quím. Freddy Marcillo Rivadeneira, Patricio Puchaicela, Richard Rivera, Stashans A., Washington ChambaFuentes:scopus