For organic solar cells to be competitive, the light-absorbing molecules should simultaneously satisfy multiple key requirements, including weak-absorption charge transfer state, high dielectric constant, suitable surface energy, proper crystallinity, etc. However, the systematic design rule in molecules to achieve the abovementioned goals is rarely studied. In this work, guided by theoretical calculation, we present a rational design of non-fullerene acceptor o-BTP-eC9, with distinct photoelectric properties compared to benchmark BTP-eC9. o-BTP-eC9 based device has uplifted charge transfer state, therefore significantly reducing the OSC energy loss by 41 meV and showing excellent power conversion efficiency of 18.7%. Moreover, the new guest acceptor o-BTP-eC9 has excellent miscibility, crystallinity, and energy level compatibility with BTP-eC9, which enables an efficiency of 19.9% (19.5% certified) in PM6:BTP-C9:o-BTP-eC9 based ternary system with enhanced operational stability.
Ref. Nature Communications (2024) In press
Non-radiative recombination loss (Eloss,nr or ΔE3) suppression and performance boosting are in the center of OSCs research. Herein, we developed a novel non-monotonic intermediate state manipulation (NM-ISM) strategy for state-of-the-art NFA OSCs by employing 1,3,5-trichlorobenzene (TCB) as crystallization regulator, which optimizes the film crystallization process, regulates the self-organization of bulk-heterojunction (BHJ) in a non-monotonic manner, i.e., first enhancing and then relaxing the molecular aggregation. As a result, we have achieved efficient OSCs with reduced Eloss,nr. In PM6:BTP-eC9 OSC system, the ISM strategy successfully offers a record binary OSC PCE of 19.31% (18.93% certified) with very low Eloss,nr of 0.190 eV.
Nature Communicaitons, in press
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