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). As the atom was given a driving force, the relationship between MSD and time steps begin to follow the properties of anomalous diffusion. The highest values of α was obtained when the atom was restricted to the first six nearest neighbors while the highest diffusion coeffcient Dα was obtained when the atom is free to move to all lattice sites. The power-law relationship between MSD and time step can be controlled and serve as a precursor in understanding how the metal atom diffuses on graphene-oxide support.
By submitting their manuscript to the Samahang Pisika ng Pilipinas (SPP) for consideration, the Authors warrant that their work is original, does not infringe on existing copyrights, and is not under active consideration for publication elsewhere.
Upon acceptance of their manuscript, the Authors further agree to grant SPP the non-exclusive, worldwide, and royalty-free rights to record, edit, copy, reproduce, publish, distribute, and use all or part of the manuscript for any purpose, in any media now existing or developed in the future, either individually or as part of a collection.
All other associated economic and moral rights as granted by the Intellectual Property Code of the Philippines are maintained by the Authors.