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Perpendicular crossing chains enable high mobility in a noncrystalline conjugated polymer.

Authors :
Coker JF
Moro S
Gertsen AS
Shi X
Pearce D
van der Schelling MP
Xu Y
Zhang W
Andreasen JW
Snyder CR
Richter LJ
Bird MJ
McCulloch I
Costantini G
Frost JM
Nelson J
Source :
Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2024 Sep 10; Vol. 121 (37), pp. e2403879121. Date of Electronic Publication: 2024 Sep 03.
Publication Year :
2024

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.<br />Competing Interests: Competing interests statement:The authors declare no competing interest.

Details

Language :
English
ISSN :
1091-6490
Volume :
121
Issue :
37
Database :
MEDLINE
Journal :
Proceedings of the National Academy of Sciences of the United States of America
Publication Type :
Academic Journal
Accession number :
39226361
Full Text :
https://doi.org/10.1073/pnas.2403879121