Interactions between the Molecules of Different Fullerenes

TL;DR

This paper derives interaction potentials between different fullerene molecules, extending previous models to include various sizes and analyzing how molecular size affects interaction characteristics.

Contribution

It generalizes existing interaction models to include Cn and Cm fullerenes, providing calculated coefficients for diverse molecular pairs and analyzing size-dependent interaction features.

Findings

Derived interaction potentials for Cn and Cm fullerenes.

Calculated interaction coefficients for C60 with other fullerenes.

Analyzed how molecular size influences potential well depth and position.

Abstract

Generalizing the procedures of Girifalco and of Verheijen et al. and using results of the preceding work it has been derived the interaction potential between the molecules of different fullerenes Cn and Cm at orientationally disordered (high-temperature solid and gaseous) phases. We have calculated the coefficients for interactions of the C60 molecule with the molecules of higher fullerenes from C70 to C96 and with the smaller one, C36. The dependence of the minimum point and of the depth of the potential well on the numbers of the atoms in the molecules m and n has been investigated.