Equilibrium Distances of Different Arrangements of Fullerenes in Nanopeapods

Nanopeapods are carbon nanotubes filled with carbon fullerenes. In this paper discrete Molecular Mechanics (MM) method is used to calculate the equilibrium distance between the fullerene-fullerene systems and the fullerenehostnanotube wall. Also, different arrangements and configurations of these nanostructures are determined in the equilibrium state. In addition a precise investigation of the host nanotube diameter in which the fullerenes can enter, is done . The work is based on the Lennard-Jones potential function and the minimum potential energy corresponds to the equilibrium distance. Using a variety of host nanotubes (e.g. armchair, zig-zag and chairal) with C60, C70 and C80 fullerenes, different arrangements of fullerenes in nanopeapods are studied and precise equilibrium distances for these nanostructures are determined.

Keywords:

nanopeapod , encapsulation , equilibrium distance , nanotube , molecular mechanics , potential energy