Mostrando 7 resultados de: 7
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Applied Surface Science(1)
Computational Materials Science(1)
International Journal of Nanotechnology(1)
Journal of Molecular Modeling(1)
Materials Science and Engineering B: Solid-State Materials for Advanced Technology(1)
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:googlescopusFirst principles band gap engineering of [1 1 0] oriented 3C-SiC nanowires
ArticleAbstract: Silicon carbide nanowires offer excellent opportunities for technological applications under harsh ePalabras claves:DFT, Formation energy, SiC Nanowires, surface passivationAutores:Cruz-Irisson M., de Santiago F., José Luis Cuevas, Miranda A., Pérez L.A., Ramírez J., Trejo A.Fuentes:googlescopusElectronic structure and optical vibrational modes of 3C-SiC nanowires
ArticleAbstract: The electronic structure and vibrational optical modes of silicon carbide nanowires (SiCNWs) were stPalabras claves:DFT, nanowires, Phonons, Silicon carbideAutores:Cruz-Irisson M., José Luis Cuevas, Miranda A., Ojeda M., Pérez L.A., 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:scopusTheoretical approach to the phonon modes of GaSb nanowires
ArticleAbstract: Gallium Antimonide nanowires (GaSbNWs) have attracted much attention due to their possible applicatiPalabras claves:DFT, Gallium Antimonide, nanowires, PhononsAutores:Calvino M., Cruz-Irisson M., José Luis Cuevas, Miranda A., Ojeda M., Pérez L.A., Salazar F., Trejo A.Fuentes:googlescopus