Continuum modelling for carbon and boron nitride nanostructures

Abstract

Continuum based models are presented here for certain boron nitride and carbon nanostructures. In particular, certain fullerene interactions, C60–C60, B36N36– B36N36 and C60–B36N36, and fullerene–nanotube oscillator interactions, C60– boron nitride nanotube, C60–carbon nanotube, B36N36–boron nitride nanotube and B36N36–carbon nanotube, are studied using the Lennard-Jones potential and the continuum approach, which assumes a uniform distribution of atoms on the surface of each molecule. Issues regarding the encapsulation of a fullerene into a nanotube are also addressed, including acceptance and suction energies of the fullerenes, preferred position of the fullerenes inside the nanotube and the gigahertz frequency oscillation of the inner molecule inside the outer nanotube. Our primary purpose here is to extend a number of established results for carbon to the boron nitride nanostructures.