Understanding of different types of rolling motion of $C_{60}$ on aluminium surface

Abstract

Can a $C_{60}$ molecule chemisorbed on an aluminium surface, exhibit rolling motion and even move on the surface? Here we presents the results of our calculation which shows that $C_{60}$ can move on that surface utilizing its own rolling motion. This rolling motion involves breaking and making of several $Al-C$ bonds. We have analyzed three possible mechanisms, in one, only carbon atoms of hexagonal rings are involved in the process, in another case only carbon atoms of pentagonal rings are involved in the process and in the last case carbon atoms of both the hexagonal and pentagonal rings are involved in the process. We found that the activation energy for rolling motion involving, only hexagonal rings is $1.69$ kcal mol$^{-1}$, only pentagonal rings is $5.97$ kcal mol$^{-1}$ and both hexagonal and pentagonal rings is $121.38$ kcal mol$^{-1}$. Rate constants are estimated using classical version of transition state theory for rolling motion involving, only hexagonal rings is $3.45 \times 10^{13} sec^{-1}$, only pentagonal rings is $17.01 \times 10^{-79} sec^{-1}$ and both hexagonal and pentagonal rings is $28.92 \times 10^{2} sec^{-1}$.