Chemical adsorption of C-60 on diamond (100)(2 x 1) surfaces

Molecular-dynamics simulations (MDSs) and ab initio calculations are used t o investigate the adsorption behavior Of C-60 molecules on a clean dimer-re constructed (100)(2X1) diamond surface. C-60 molecules have some probabilit y to be adsorbed on the diamond surface at low incident energy (6 similar t o 45 eV). Electron-density contours show strong chemical interaction betwee n C-60 molecules and the substrate surface. The adsorption property depends strongly on the incident energy and the impacting point. An incident energ y of 18 eV may be an appropriate energy to grow a sub-monolayer or monolaye r C-60 film on a clean C(100)(2X1) surface at room temperature.