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We calculate the properties of a graphene monolayer on the Ir(111) surface,using the model in which the periodicities of the two structures are assumedequal, instead of the observed slight mismatch which leads to a largesuperperiodic unit cell. We use the Density Functional Theory approachsupplemented by the recently developed vdW-DF nonlocal correlation functional.The latter is essential for treating the van der Waals interaction, which iscrucial for the adsorption distances and energies of the rather weakly boundgraphene. When additional iridium atoms are put on top of graphene, theelectronic structure of C atoms acquires the sp3 character and strong bondswith the iridium atoms are formed. We discuss the validity of theapproximations used, and the relevance for other graphene-metal systems.

Graphene on Ir(111) surface: From van der Waals to strong bonding