Solid-state supramolecular organization of polythiophene chains containing thienothiophene units

Patrick Brocorens*, Antoine Van Vooren, Michael L. Chabinyc, Michael F. Toney, Maxim Shkunov, Martin Heeney, Iain Mcculloch, Jérôme Cornil, Roberto Lazzaroni

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

63 Scopus citations

Abstract

We use molecular modeling and the simulation of X-ray diffraction patterns to determine the molecular packing of a thiophene-based polymer showing exceptionally high field-effect mobilities (up to 1 cm2 V -1 s-1). We focus on the organization of the polymer chains in lamellae and the orientation of these crystalline domains with respect to the substrate in thin films. The analysis is supported by XRD and NEXAFS experiments and is complemented by calculating intermolecular transfer integrals, which govern the charge mobility.

Original languageEnglish (US)
Pages (from-to)1193-1198
Number of pages6
JournalAdvanced Materials
Volume21
Issue number10-11
DOIs
StatePublished - Mar 20 2009

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering

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