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The DFT/vdW-WF2s1 method, recently developed to include the van der Waalsinteractions in the Density Functional Theory and describe adsorption processeson metal surfaces by taking metal-screening effects into account, is applied tothe case of the interaction of Xe and graphene with a transition-metal surface,namely Ni(111). In general the adsorption of rare-gas atoms on metal surfacesis important because is prototypical for physisorption processes. Moreover, theinteraction of graphene with Ni(111) is of particular interest for practicalapplications (efficient and large-scale production of high-quality graphene)and, from a theoretical point of view, is particularly challenging, since itcan be described by a delicate interplay between chemisorption andphysisorption processes. The first-principles simulation of transition metalsrequire particular care also because they can be viewed as intermediate systemsbetween simple metals and insulating crystals. Even in these cases the methodperforms well as demonstrated by comparing our results with availableexperimental data and other theoretical investigations. We confirm that therare gas Xe atom is preferentially adsorbed on the top-site configuration onthe Ni(111) surface too. Our approach based on the use of the MaximallyLocalized Wannier Functions also allow us to well characterize the bondsbetween graphene and Ni(111).

van der Waals-corrected Density Functional Theory simulation of adsorption processes on transition-metal surfaces: Xe and graphene on Ni(111)