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Detailed semi-empirical interaction potential calculations are performed todetermine the potential energy surface experienced by the molecules CO, HCN,H2O and H2CO, when adsorbed on the basal plane (0001) of graphite at lowtemperature. The potential energy surface is used to find the equilibrium siteand configuration of a molecule on the surface and its corresponding adsorptionenergy. The diffusion constant associated with molecular surface diffusion iscalculated for each molecule.

surface science

Investigation of the interaction of some astrobiological molecules with  the surface of a graphite (0001) substrate. Application to the CO, HCN, H2O  and H2CO molecules