Cluster and layers of fullerene molecules between graphite planes

Using potential models, derived by Girifalco and by Ruoff and Hickman, to describe the C60–C60 and the C60-graphite interaction, respectively, we carried out molecular dynamics simulations to compare structural and dynamical properties of a (C60)13 cluster placed in a free space, over a graphite plane, and finally between two parallel graphite planes. The cluster placed over a graphite plane and between two graphite planes has formed monolayers of a hexagonal arrangement, parallel to the graphite surfaces. Moreover, we observed an interesting behavior of the cluster between the two graphite planes: the fullerene monolayers slide one against the other. q 2004 Elsevier B.V. All rights reserved. PACS: 61.48. þ c; 68.55.-a; 68.60.-p; 81.07.Nb