Heteronanotubes
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1. Hetero-nanotubos sob pressão hidrostática: um estudo ab initio / Hetero-nanotubes under hydrostatic pressure: an ab initio study
In this work the electronic and structural properties of the hetero-nanotube bundles, composed of a CNT (6,0) encapsulated in a BNNT (14,0) (CNT (6,0)@BNNT (14,0)) and a BNNT (6,0) encapsulated in a CNT (14,0) (BNNT(6,0)@CNT (14,0)), under hydrostatic pressure. For this, we applied density functional theory and generalized gradient approximation to the excha
Publicado em: 2011