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Band-Gap Engineering: Lithium Effect on the Electronic Properties of Hydrogenated 3C-SiC (1 1 0) Surfaces
ArticleAbstract: Silicon carbide has structural strength, high electronic conductivity, low diffusion barrier and higPalabras claves:band-gap, DFT, DOS, Electronic properties, Formation energy, GGA framework, lithium batteries, PDOS, SiC-Li, surfacesAutores:José Luis Cuevas, Martínez M.O., Saravana Prakash ThirumuruganandhamFuentes:googlescopusA 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:scopusRelease of copper complexes from a nanostructured sol–gel titania for cancer treatment
ArticleAbstract: Copper complexes containing inorganic ligands were loaded on a functionalized titania (F-TiO2) to obPalabras claves:Autores:Gómez E., Guevara P., José Luis Cuevas, López T., Novaro O., Ortiz-Islas E., Rodríguez-Reinoso F.Fuentes:googlescopus