ListarDivisión de Nanociencias y Materiales por tema "DFT"
Mostrando ítems 1-4 de 4
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Estudio teórico experimental de compósitos de Y2O3 -GO
(2018-08)"El Y2O3 es el compuesto mas abundante de este elemento, el cual ha sido estudia- do por sus propiedades cerámicas y electro-ópticas, sin embargo, recientemente se ́ ha comenzado a reportar el uso de este oxido metálico ... -
Propiedades magnéticas de agregados de metales 3d adsorbidos sobre superficies no magnéticas
(01/11/2019)The magnetic elements of the 3d row of the periodic table, have been extensively studied from an experimental and theoretical points of view. The study of these systems has been encouraged because their possible applications ... -
Reactividad y propiedades catalíticas de partículas subnanométricas de Pt y FePt: un estudio basado en la teoría de la funcional de la densidad
(2015-11)"Atomic clusters constitute a new phase of matter, being the bridge between atoms and bulk. These systems have generated considerable interest, triggering one extensive research due to the fact that their physical and ... -
Structures and electronic properties of TinV (n = 1–16) clusters: first-principles calculations
(American Chemical Society, 2016)"Structures and electronic properties of TinV (n = 1–16) clusters have been investigated using density functional theory with the generalized gradient approximatio. The calculations have shown that the TinV clusters favor ...