Cu-adatom-mediated bonding in close-packed benzoate/Cu (110)-Systems

Using UHV-STM investigations and density-functional theory calculations we prove the contribution of Cu-adatoms to the stabilization of a new high-density phase of benzoate molecules on a Cu(110) substrate. We show that two different chemical species, benzoate and benzoate Cu-adatoms molecules, build the new close-packed structure. Although both species bind strongly to the copper surface, we identify the benzoate Cu-adatoms molecules as the more mobile species on the surface due to their reduced dipole moment and their lower binding energy compared to benzoate molecules. Therefore, the self-assembly process is supposed to be mediated by benzoate Cu-adatom species, which is analogous to the gold-thiolate species on Au(111) surfaces