Perpendicular crossing chains enable high mobility in a noncrystalline conjugated polymer

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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Publication Details

Journal
Proceedings of the National Academy of Sciences
Published
2024-09-03
DOI
https://doi.org/10.1073/pnas.2403879121
Citations
20
Primary Topic
Force Microscopy Techniques and Applications
Type
article
Field-Weighted Citation Impact
6.75

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Perpendicular crossing chains enable high mobility in a noncrystalline conjugated polymer

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Proceedings of the National Academy of Sciences
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Perpendicular crossing chains enable high mobility in a noncrystalline conjugated polymer

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article en
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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.

Proceedings of the National Academy of SciencesVol. 121(37)
National Institute of Standards and Technology (US), Brookhaven National Laboratory (US), University of Cambridge (GB), University of Oxford (GB), Imperial College London (GB), King Abdullah University of Science and Technology (SA), University of Birmingham (GB), Technical University of Denmark (DK), Delft University of Technology (NL)
U.S. Department of Energy, Royal Society, King Abdullah University of Science and Technology, Engineering and Physical Sciences Research Council, European Research Council, HORIZON EUROPE European Research Council
Openalex Percentile: Top 2%
Force Microscopy Techniques and Applications
6.75
DOIOpen Access PDFOpenAlex
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