HYDROGEN CHEMISORPTION ON A GRAPHITE SURFACE

Using a perturbational approach we consider the chemisorption of a H-atom on a graphite (001) basal surface, having in mind that the graphite-H system reflects to some degree the interaction between an interstellar grain with graphitic parts and a H-atom. The theoretical model we have developed is based on the assumption that the graphite surface can be considered as a rigid network of identical carbon clusters representing the surface lattice geometry. We find, in agreement with previous studies, that the energetically preferred position of the chemisorbed H-atom is above a C-atom and that the wall-height between two adjacent binding sites of the H-atom is about 0.1 eV.