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Journal of Materials Science(1)
Journal of Nano- and Electronic Physics(1)
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Lecture Notes in Engineering and Computer Science(1)
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DFT study of chromium-doped SnO2 materials
ArticleAbstract: Density functional theory (DFT) and generalised gradient approximation have been employed to study ePalabras claves:Autores:A. Stashans, L. Puchaicela Huaca, R. Rivera EscobarFuentes:rraaeFe-doped SnO2: 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, SnO2Autores:A. Stashans, L. Puchaicela HuacaFuentes:rraaeQuantum 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
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