Monolayer Graphene and h-BN on Metal Substrates as Versatile Templates for Metallic Nanoclusters

well-ordered and active support would be very valuable for tailoring nanoclusters and molecular self-assembly to achieve size-dependent chemical properties. Graphene and h-BN nanomesh on metal surfaces have been recently considered as successful candidates to this end by displaying periodic corrugated topography. However, the fundamental link between the topographic buckling and the growth modes of transition-metal (TM) or organic superstructures remains elusive. By investigating by means of extensive DFT calculations, the structure of monolayer graphene (MLG) on Rh(111) and Ru(0001) and h-BN on a Ru(0001) surface and comparing the local chemical activity, we show that these supports provide different template functionalities ranging from zero-dimensional clusters to a two-dimensional network for adsorbates. For a wide range of TMs, we find that the TM-MLG interaction controls the morphology of TM clusters on MLG/Ru, which qualifies as a versatile template for tuning metallic growth.