Continuum modelling for interactions between fullerenes and other carbon nanostructures

Abstract

The non-bonded interactions between carbon nanostructures are studied in this paper. In particular, we focus on various interactions which involve a fullerene molecule. Using the Lennard-Jones potential and the continuum approach, we provide the potential energy for fullerene-atom interactions and by assuming that this atom is a typical atom on the surface of other carbon nanostructures, we may derive the total potential energy for two non-concentric fullerenes, nested fullerenes, or carbon onions, a fullerene inside a carbon nanotube and nanopeapods. The method shown in this paper can be applied to study the interactions of fullerenes with many other geometries of carbon molecules.