First-principles electronic structure calculations were used to evaluate the binding energy of atomic H to lattice defects in graphite. The results showed that C sites, belonging to a Stone–Wales defect, were preferential binding sites as compared with undefected sites. Upon H adsorption, the C sites underwent an appreciable tetragonalization effect which was more pronounced at the defected sizes.

Atomic Hydrogen Adsorption on a Stone–Wales Defect in Graphite. S.Letardi, M.Celino, F.Cleri, V.Rosato: Surface Science, 2002, 496[1-2], 33-8