Empirical potentials for C-Si-H systems with application to C-60 interactions with Si crystal surfaces

A semiempirical potential is developed for modelling both the chemistry and the bulk properties of C-Si-H systems based on the Tersoff formulation. The potentials are compared with the known energetics of small Si-H-C clusters with good results. The potential is used to investigate the interaction of C-60 With hydrogenated crystal surfaces in the energy range 100-250eV. The simulations show that a wide variety of interactions is possible. The molecule can stick on the surface either directly or by bouncing across the surface. Reflection from the surface is also possible.