Extensive ab initio calculations were carried out on the energetics of gold atoms deposited on graphite surfaces, using different geometries and approximations. It was consistently found that gold adatoms easily diffused over this surface with a diffusion barrier of 0.05eV. The adsorption energy was found to be more difficult to quantify within density functional theory. Combining these calculations with experimental values, this adsorption energy was estimated to be of order of 0.45eV.

First Principles Study of Gold Adsorption and Diffusion on Graphite. Jensen, P., Blase, X., Ordejón, P.: Surface Science, 2004, 564[1-3], 173-8