Exact analytical results on electronic transport of conjugated polymer junctions: Renormalization method

We study the electrical coherent transport in a typical conjugated polymer connected to molecular electrodes. We provide an exact analytical method to reduce such a system to a uniform wire by employing Green’s function theory and the tight-binding Hamiltonian. The formalism is useful to investigate transport properties of periodic quasi-one dimensional molecular nanowires and polymers in the presence or absence of defects. Some illustrative examples including polyacetylene and poly(p-phenylene) polymers are given to show the ability of our approach. For ideal infinite polyacetylene and poly(p-phenylene) polymers due to dimerization respectively, one and two gaps will appear in the density of states spectra.

► Analytical method to reduce conjugated polymer to a uniform wire. ► Employing renormalized Green’s function method in the tight-binding approach. ► Transport properties of conjugated polymers in the presence of defects. ► Electronic transmission and DOS in PA and PPP polymer junctions.