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Estuda da formação de vacância induzida em nanotubos de carbono
(Universidade Federal de Santa Maria, 2004-12-14)
In this work we have performed the study of the single vacancy and the induced vacancy in carbon nanotubes by first-principles calculations using the SIESTA code,
which solves the Kohn-Sham equations via the local density ...
Nanotubos de carbono interagindo com vitaminaS B3 e C: um estudo de primeiros princípios
(Universidade Federal de Santa Maria, 2008-03-18)
This work presents a theoretical study about the interaction between pristine or functionalized B3 and C vitamins with semiconducting carbon nanotubes (8,0) through first principles simulations. We evaluate the structural ...
Nanotubos de carbono interagindo com selênio: uma simulação de primeiros princípios
(Universidade Federal de Santa Maria, 2009-01-15)
This work presents a theoretical study about the interaction between semiconducting carbon nanotubes (8,0) single-wall (SWNT), with selenium nanostructures by first principles calculations using the density functional ...