High Carrier Mobility Polythiophene Thin Films: Structure Determination by Experiment and Theory


  • This official contribution of the National Institute of Standards and Technology is not subject to copyright in the United States. R.J.K. thanks support from the NIST-NRC program. L.A.L. thanks support from the BLGRF program. J.E.N thanks support from the AFOSR, Grant No. F9550-06-1-0302.


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The structure within crystalline thin films of a high-carrier-mobility polythiophene is studied with complementary characterization methods and first-principles theory. As shown in the figure, two important structural aspects are revealed: 1) a slip in the face-to-face π-π packing, which strongly influences carrier mobility, and 2) the interdigitation of highly trans side chains between vertically adjacent lamellae.