Growth of Metal Phthalocyanine on Deactivated Semiconducting Surfaces Steered by Selective Orbital Coupling

Using scanning tunneling microscopy and density functional theory, we show that the molecular ordering and orientation of metal phthalocyanine molecules on the deactivated Si surface display a strong dependency on the central transition-metal ion, driven by the degree of orbital hybridization at the heterointerface via selective p -d orbital coupling. This Letter identifies a selective mechanism for modifying the molecule-substrate interaction which impacts the growth behavior of transitionmetal- incorporated organic molecules on a technologically relevant substrate for silicon-based devices.