Theoretical studies of multishell fullerenes.

Abstract

In this paper two types of multishell fullerenes have been investigated. They are the multishells of the concentric circumspheres of polyhedra {ital C}{sub {ital n}} ({ital I}{sub {ital h}}, {ital n}=60{ital k}{sup 2}) and {ital C}{sub {ital n}} ({ital I}{sub {ital h}}, {ital n}=180{ital k}{sup 2}), respectively, where {ital k} is the sequence of positive integers 1,2, up to {ital L}, and {ital L} is the number of shells. The electronic structures of the multishell fullerenes have been calculated with the values of {ital k} from 1 to 25 for the first type, and the values of {ital k} from 1 to 14 for the second type. The van der Waals energies and the Gibbs functions for the formation of multishell fullerenes from the isolated shells have also been derived.