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
The combination of donor (D) and acceptor (A) materials in organic solar cells (OSC) determines the corresponding D:A morphology in solar cells and the so-called golden triangle of OSC, that is, cost, power conversion efficiency (PCE), and stability. However, despite the recent advancement in OSC, determining the optimal material combination for industrialization is still a challenge. Herein, we unveil the optimal material combination that exhibits maximum industrial viability. Specifically, the industrial figure of merit (i-FoM) of 7 OSC categories is calculated and further analyzed, including small molecule donor (SMD):fullerene acceptor, SMD:non-fullerene acceptor (NFA), oligomer donor:NFA, terpolymer:NFA, polymer donor:NFA, polymer donor:polymer acceptor, and single-component materials. Since OSC is approaching wide-scale industrialization, our insights into the successes and challenges of these material combinations, particularly their PCE, photostability, and synthetic complexity (SC) index, offer guidance toward accelerating the industrialization of OSC.
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