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Conduction Properties of Bipyridinium-Functionalized Molecular Wires

Bagrets, Alexei ; Arnold, Andreas ; Evers, Ferdinand


We present a detailed analysis of the coherent electron transport through a redox-active, 4,4′-bipyridinium (viologen)-functionalized molecular wire, which was studied in several recent experiments. Our calculations for the bare viologen predict conductances differing by 2 orders of magnitude depending on the contact geometry. For the alkyl-wired viologen unit, we obtain an exponential decay of ...


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