Visualizing the multi-level assembly structures of conjugated molecular systems with chain-length dependent behavior

Yang-Yang Zhou, Yu-Chun Xu, Ze-Fan Yao, Jia-Ye Li, Chen-Kai Pan, Yang Lu, Chi-Yuan Yang, Li Ding, Bu-Fan Xiao, Xin-Yi Wang, Yu Shao, Wen-Bin Zhang, Jie-Yu Wang, Huan Wang and Jian Pei ()
Additional contact information
Yang-Yang Zhou: Peking University
Yu-Chun Xu: Peking University
Ze-Fan Yao: Peking University
Jia-Ye Li: Peking University
Chen-Kai Pan: Peking University
Yang Lu: Peking University
Chi-Yuan Yang: Peking University
Li Ding: Peking University
Bu-Fan Xiao: Peking University
Xin-Yi Wang: Peking University
Yu Shao: Peking University
Wen-Bin Zhang: Peking University
Jie-Yu Wang: Peking University
Huan Wang: Peking University
Jian Pei: Peking University

Nature Communications, 2023, vol. 14, issue 1, 1-12

Abstract: Abstract It remains challenging to understand the structural evolution of conjugated polymers from single chains to solvated aggregates and film microstructures, although it underpins the performance of optoelectrical devices fabricated via the mainstream solution processing method. With several ensemble visual measurements, here we unravel the morphological evolution process of a model system of isoindigo-based conjugated molecules, including the hidden molecular assembly pathways, the mesoscale network formation, and their unorthodox chain dependence. Short chains show rigid chain conformations forming discrete aggregates in solution, which further grow to form a highly ordered film that exhibits poor electrical performance. In contrast, long chains exhibit flexible chain conformations, creating interlinked aggregates networks in solution, which are directly imprinted into films, forming interconnective solid-state microstructure with excellent electrical performance. Visualizing multi-level assembly structures of conjugated molecules provides a deep understanding of the inheritance of assemblies from solution to solid-state, accelerating the optimization of device fabrication.

Date: 2023
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DOI: 10.1038/s41467-023-39133-w

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