Interaction Potentials of Simple Nonpolar Molecules with Graphite

Abstract

The interaction and zero-point energies of Ne, A, Kr, Xe, and CH4 molecules near a semi-infinite graphite lattice at the potential minimum have been calculated using lattice sums of a (6–12) potential with empirically determined potential constants and have been compared with recent experimental data. The significance of the results with respect to the possible role of charge-transfer no-bond mechanism for these systems is briefly discussed and it is concluded that dispersion forces alone are sufficient to account for the interaction energy.