• Author: Niedzialek, Dorota

    University of Mons, Belgium

  • Author: Lemaur, Vincent

    University of Mons, Belgium

  • Author: Dudenko, Dmytro

    Max Planck Institute, Germany

  • Author: Shu, Jie

    Max Planck Institute, Germany

  • Author: Hansen, Michael Ryan

    Max Planck Institute, Germany

  • Author: Andreasen, Jens Wenzel

    Imaging and Structural Analysis, Department of Energy Conversion and Storage, Technical University of Denmark, Frederiksborgvej 399, 4000, Roskilde, Denmark

  • Author: Pisula, Wojciech

    Max Planck Institute, Germany

  • Author: Müllen, Klaus

    Max Planck Institute, Germany

  • Author: Cornil, Jérôme

    University of Mons, Belgium

  • Author: Beljonne, David

    University of Mons, Belgium

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Molecular modeling shows that longitudinal displacement of the backbones by a couple of ångströms has a profound impact on the electronic coupling mediating charge transport in a conjugated copolymer. These changes can be probed by monitoring the calculated X-ray scattering patterns and NMR chemical shifts as a function of sliding of the polymer chains and comparing them to experiment.
Original languageEnglish
JournalAdvanced Materials
Volume25
Issue number13
Pages (from-to)1939-1947
ISSN0935-9648
DOIs
StatePublished - 2013
CitationsWeb of Science® Times Cited: 56

    Research areas

  • Charge transport, Conjugated polymer, Supramolecular organization, Atomistic modeling
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