Molecular dynamics simulations of C2, C2H, C2H2, C2H3, C2H4, C2H5, and C2H6 bombardment of diamond (1Â 1Â 1) surfaces

The sticking and erosion of C2Hx molecules (where x=0-6), at 300 and 2100 K onto hydrogenated diamond (1 1 1) surfaces was investigated by means of molecular dynamics simulations. We employed both quantum-mechanical and empirical force models. Generally, the sticking probability is observed to somewhat increase when the radical temperature increases and strongly decrease with increasing number of H atoms in the molecule.