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We have studied the graphene/gold interface by means of density functionaltheory (DFT) and scanning tunneling spectroscopy (STS). Weak interactionbetween graphene and the underlying gold surface leaves unperturbed Dirac conesin the band-structure, but they can be shifted with respect to the Fermi levelof the whole system, which results in effective doping of graphene. DFTcalculations revealed that the interface is extremely sensitive to theadsorption distance and to the structure of metal's surface, in particularstrong variation in doping can be attributed to the specific rearrangements ofsubstrate's atoms, such as the change in the crystallographic orientation,relaxation or other modifications of the surface. On the other hand, STSexperiments have shown the presence of energetic heterogeneity in terms of thechanges in the local density of states (LDOS) measured at different places onthe sample. Randomly repeated regions of zero-doping and p-type doping havebeen identified from parabolic shape characteristics and from well definedDirac points, respectively. The doping domains of graphene on gold seem to berelated to the presence of various types of the surface structure across thesample. DFT simulations for graphene interacting with Au have shown largedifferences in doping induced by considered structures of substrate, inagreement with experimental findings. All these results demonstrate thepossibility of engineering the electronic properties of graphene, especiallytuning the doping across one flake which can be useful for applications ofgraphene in electronic devices.

Domains of doping in graphene on polycrystalline gold: first-principles and scanning tunneling spectroscopy studies