Interaction among C-28 clusters and diamond (002) surfaces

In this paper, the dynamic behavior of one and two C-28 chemisorptions on d iamond (001)-(2 X 1) surfaces was investigated by means of molecular dynami cs (MD) simulation. The interaction potential between the atoms employed wa s the semi-empirical many-body Brenner potential. First, we studied the int eraction between one C-28 molecule and the surface. The energy range, in wh ich C-28 has the highest sticking probability without breaking up, was foun d to be 25-40 eV. In order to simulate the fabrication process of duster-as sembled materials, we designed the process so that one C-28 cluster was alr eady chemisorbed on the diamond surface and then the second C-28 cluster im pacted on it within a certain distance where two clusters interact with eac h other. The interaction between clusters was found to hinder the incident cluster from being chemisorbed onto the diamond surface. The chemisorption configurations of incident clusters were found to be sensitive to the aniso tropic structure of the surface. With the incident energy window, after che misorption the C-28 clusters retained their cage structure which agrees wit h experimental results. (C) 2000 Elsevier Science S.A. All rights reserved.