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Journal of Materials Science(1)
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Lecture Notes in Electrical Engineering(1)
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Ciencia de materiales(3)
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Fe-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:scopusDFT 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:scopusSnO2 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: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:rraaescopus