Electrostatic force promoted intermolecular stacking of polymer donors toward 19.4% efficiency binary organic solar cells

Zirui Gan, Liang Wang, Jinlong Cai, Chuanhang Guo, Chen Chen, Donghui Li, Yiwei Fu, Bojun Zhou, Yuandong Sun, Chenhao Liu, Jing Zhou, Dan Liu, Wei Li and Tao Wang ()
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Zirui Gan: Wuhan University of Technology
Liang Wang: Wuhan University of Technology
Jinlong Cai: Wuhan University of Technology
Chuanhang Guo: Wuhan University of Technology
Chen Chen: Wuhan University of Technology
Donghui Li: Wuhan University of Technology
Yiwei Fu: Wuhan University of Technology
Bojun Zhou: Wuhan University of Technology
Yuandong Sun: Wuhan University of Technology
Chenhao Liu: Wuhan University of Technology
Jing Zhou: Wuhan University of Technology
Dan Liu: Wuhan University of Technology
Wei Li: Wuhan University of Technology
Tao Wang: Wuhan University of Technology

Nature Communications, 2023, vol. 14, issue 1, 1-10

Abstract: Abstract Conjugated polymers are generally featured with low structural order due to their aromatic and irregular structural units, which limits their light absorption and charge mobility in organic solar cells. In this work, we report a conjugated molecule INMB-F that can act as a molecular bridge via electrostatic force to enhance the intermolecular stacking of BDT-based polymer donors toward efficient and stable organic solar cells. Molecular dynamics simulations and synchrotron X-ray measurements reveal that the electronegative INMB-F adsorb on the electropositive main chain of polymer donors to increase the donor-donor interactions, leading to enhanced structural order with shortened π-π stacking distance and consequently enhanced charge transport ability. Casting the non-fullerene acceptor layer on top of the INMB-F modified donor layer to fabricate solar cells via layer-by-layer deposition evidences significant power conversion efficiency boosts in a range of photovoltaic systems. A power conversion efficiency of 19.4% (certified 18.96%) is realized in PM6/L8-BO binary devices, which is one of the highest reported efficiencies of this material system. The enhanced structural order of polymer donors by INMB-F also leads to a six-fold enhancement of the operational stability of PM6/L8-BO organic solar cells.

Date: 2023
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DOI: 10.1038/s41467-023-42071-2

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