Mostrando 4 resultados de: 4
Publisher
Journal of Materials Science(1)
Journal of Nano- and Electronic Physics(1)
Lecture Notes in Electrical Engineering(1)
Lecture Notes in Engineering and Computer Science(1)
Área de conocimiento
Ciencia de materiales(3)
Química teórica(2)
Teoría del funcional de la densidad(1)
DFT study of chromium-doped SnO<inf>2</inf> materials
ArticleAbstract: Density functional theory (DFT) and generalised gradient approximation have been employed to study ePalabras claves:Autores:Patricio Puchaicela, Richard Rivera, Stashans A.Fuentes:scopusFe-doped SnO<inf>2</inf>: A quantum-chemical approach
ArticleAbstract: We report first-principles results obtained on Fe impurity incorporation into the SnO2 material. DifPalabras claves:dft+u, impurity doping, magnetism, Microstructure, SnO 2Autores:Patricio Puchaicela, Stashans A.Fuentes:scopusQuantum 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:rraaescopusSnO2 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