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The stacking of different 2D materials provides a promising approach torealize new states of quantum matter. In this combined scanning tunnelingmicroscopy (STM) and density functional theory (DFT) study we show that thestructure in weakly bound, purely van der Waals (vdW) interacting systems isstrongly influenced by screening and relaxation. We studied in detail thephysisorption of lead phthalocyanine (PbPc) molecules on epitaxial monolayergraphene on SiC(0001) as well as on highly ordered pyrolytic graphite (HOPG),resembling truly 2D and anisotropic, semi-infinite 3D supports. Our analysisdemonstrates that the different deformation ability of the vdW coupled systems,i.e. their actual thickness and buckling, triggers the molecular morphology andexhibits a proximity coupled band structure. It thus provides importantimplications for future 2D design concepts.

Impact of screening and relaxation onto weakly coupled 2D heterostructures