CLUSTERS AND LAYERS OF C-60 MOLECULES SUPPORTED ON A GRAPHITE SUBSTRATE

Using the models proposed by Girifalco and by Ruoff and Hickman for de scribing the C-60-C-60 and C-60-graphite interactions, respectively, w e have carried out a computer simulation study of the structures and p hase changes of clusters of C-60 molecules supported on a graphite sub strate. We have also analyzed the configurations and binding energies of layers of C-60 molecules deposited on the same substrate. It is pre dicted that the ground-state structures of the supported clusters cons ist in monolayerlike hexagonal arrangements parallel to the graphite s urface, and that when the temperature is raised the supported fulleren e clusters lose C-60 molecules by sublimation before they can attain a liquidlike state.