Investigating the diffusion of an atom on the graphene lattice

Atomic-scale surface diffusion in graphene is of recent interest to determine the viability of single-atom catalysts in functionalized graphene materials. To model such behavior, we study the random walk behavior of an atom in graphene using mean square displacement (MSD). Without the presence of a driving force, the atom performing a random walk on the graphene lattice would expect to follow linear Brownian motion. We confirm this linear behavior by measuring its mean square displacement (MSD).