Ivan A. Pshenichnyuk, Pedro B. Coto, Susanne Leitherer, Michael Thoss
We investigate charge transport in pentacene-graphene nanojunctions employing first principles electronic structure calculations and the Landauer transport formalism. The results show that the unique electronic properties of graphene strongly influence the transport in the nanojunctions. In particular, edge states in graphene electrodes with zig-zag termination result in additional transport channels close to the Fermi energy which deeply affects the conductance at small bias voltages. Furthermore, the transport properties are influenced by the coupling between the molecular bridge and the graphene electrodes as well as the electronic structure of the bridge molecule, which can be controlled by the choice of the linker groups and functionalization.
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http://arxiv.org/abs/1212.3826
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