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Perpendicular crossing chains enable high mobility in a noncrystalline conjugated polymer.
Coker, Jack F; Moro, Stefania; Gertsen, Anders S; Shi, Xingyuan; Pearce, Drew; van der Schelling, Martin P; Xu, Yucheng; Zhang, Weimin; Andreasen, Jens W; Snyder, Chad R; Richter, Lee J; Bird, Matthew J; McCulloch, Iain; Costantini, Giovanni; Frost, Jarvist M; Nelson, Jenny.
Afiliación
  • Coker JF; Department of Physics, Imperial College London, London SW7 2AZ, United Kingdom.
  • Moro S; School of Chemistry, University of Birmingham, Birmingham B15 2TT, United Kingdom.
  • Gertsen AS; Department of Energy Conversion and Storage, Technical University of Denmark, Kongens Lyngby 2800, Denmark.
  • Shi X; Department of Physics, Imperial College London, London SW7 2AZ, United Kingdom.
  • Pearce D; Department of Physics, Imperial College London, London SW7 2AZ, United Kingdom.
  • van der Schelling MP; Department of Physics, Imperial College London, London SW7 2AZ, United Kingdom.
  • Xu Y; Department of Materials Science and Engineering, Delft University of Technology, Delft 2628 CD, The Netherlands.
  • Zhang W; Department of Physics, Imperial College London, London SW7 2AZ, United Kingdom.
  • Andreasen JW; Department of Physics, Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE, United Kingdom.
  • Snyder CR; King Abdullah University of Science and Technology Solar Center, Division of Physical Sciences and Engineering, King Abdullah University of Science and Technology, Thuwal 23955, Kingdom of Saudi Arabia.
  • Richter LJ; Department of Energy Conversion and Storage, Technical University of Denmark, Kongens Lyngby 2800, Denmark.
  • Bird MJ; Material Science and Engineering Division, National Institute of Standards and Technology, Gaithersburg, MD 20899.
  • McCulloch I; Material Science and Engineering Division, National Institute of Standards and Technology, Gaithersburg, MD 20899.
  • Costantini G; Chemistry Division, Brookhaven National Laboratory, Upton, NY 11973.
  • Frost JM; Department of Chemistry, University of Oxford, Oxford OX1 3TA, United Kingdom.
  • Nelson J; School of Chemistry, University of Birmingham, Birmingham B15 2TT, United Kingdom.
Proc Natl Acad Sci U S A ; 121(37): e2403879121, 2024 Sep 10.
Article en En | MEDLINE | ID: mdl-39226361
ABSTRACT
The nature of interchain π-system contacts, and their relationship to hole transport, are elucidated for the high-mobility, noncrystalline conjugated polymer C16-IDTBT by the application of scanning tunneling microscopy, molecular dynamics, and quantum chemical calculations. The microstructure is shown to favor an unusual packing motif in which paired chains cross-over one another at near-perpendicular angles. By linking to mesoscale microstructural features, revealed by coarse-grained molecular dynamics and previous studies, and performing simulations of charge transport, it is demonstrated that the high mobility of C16-IDTBT can be explained by the promotion of a highly interconnected transport network, stemming from the adoption of perpendicular contacts at the nanoscale, in combination with fast intrachain transport.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Proc Natl Acad Sci U S A Año: 2024 Tipo del documento: Article País de afiliación: Reino Unido Pais de publicación: Estados Unidos
Texto completo
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XML
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Proc Natl Acad Sci U S A Año: 2024 Tipo del documento: Article País de afiliación: Reino Unido Pais de publicación: Estados Unidos