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A density functional theory study of the chemical surface modification of β-SiC nanopores
Conference ObjectAbstract: The dependence of the electronic band structure and density of states on the chemical surface passivPalabras claves:density functional theory, Porous silicon carbide, surface passivationAutores:Calvino M., Carvajal E., Cruz-Irisson M., Duchén G.I., José Luis Cuevas, Trejo A.Fuentes:googlescopusAb-initio modeling of oxygen on the surface passivation of 3CSiC nanostructures
Conference ObjectAbstract: In this work the effect of OH on the electronic states of H-passivated 3CSiC nanostructures, was stuPalabras claves:density functional theory, nanowires, Porous semiconductors, Silicon carbideAutores:Calvino M., Carvajal E., Cruz-Irisson M., José Luis Cuevas, Trejo A.Fuentes:googlescopusAb-initio study of anisotropic and chemical surface modifications of β-SiC nanowires
ArticleAbstract: The electronic band structure and electronic density of states of cubic SiC nanowires (SiCNWs) in thPalabras claves:DFT, nanowires, Silicon carbide, surface passivationAutores:Carvajal E., Cruz-Irisson M., José Luis Cuevas, Salazar F., Trejo A.Fuentes:googlescopusPhonon band structure of porous Ge from ab initio supercell calculation
Conference ObjectAbstract: The phonon band structures for porous Ge (PGe) are performed by means of full ab initio calculationsPalabras claves:density functional theory, Phonons, Porous germanium, Supercell approachAutores:Cruz-Irisson M., José Luis Cuevas, Trejo A., Vázquez-Medina R.Fuentes:scopus