Quasi-classical trajectory calculations were used to study the surface diffusion and desorption of exohedral Li+ from the outer surface of a fullerene. Ring hopping or orbiting was found to be responsible for diffusion. Orbiting, an essential mechanism for diffusion, comprised 20% of all diffusion events at 950K and 12% at 1500K. The rate coefficients calculated by RRKM and activated complex theories were compared with the trajectory results for desorption.

Surface Diffusion and Desorption of Exohedral Li+ from the Surface of a Fullerene. Bernshtein, V., Oref, I.: Physical Review A, 2001, 63[4], 432011-9

Table 10

Diffusivity of O in C60