Authors
Jiye Chen, Ruohan Wang, Peiran Wang, Hanzhe Shi, Wenkai Zhao, Longyu Li, Jian Liu, Zhaoyang Yao, Chenxi Li, Xiangjian Wan, Yongsheng Chen
Published in
Advanced materials (Deerfield Beach, Fla.). Pages e74732. Aug 20, 2026. Epub Aug 20, 2026.
Abstract
Asymmetric molecular design has emerged as an effective strategy for developing high-performance acceptors for organic solar cells (OSCs). Here, we introduce a dual-asymmetric topology strategy, in which the stereochemical configurations of both the central core and terminal groups are co-engineered. Using this approach, we synthesized an isomeric pair, Th2Cl-a-2Cl and Th2Cl-b-2Cl and benchmarked them against the singly asymmetric a-CH-Th2Cl and Th2Cl-4Cl. We find that the distinctive steric conformation of Th2Cl-a-2Cl promotes a geometrically complementary, interlocked packing motif within the crystal lattice. This not only reinforces the three-dimensional network connectivity but, more importantly, gives rise to a more uniform local electrostatic environment at the molecular-skeleton scale. As a result, Th2Cl-a-2Cl exhibits weaker and more balanced environment-induced electrostatic fluctuations along the backbone, which helps reduce local electrostatic perturbations during charge transport. Consequently, PM6:Th2Cl-a-2Cl devices deliver a champion PCE of 20.18% with a high fill factor (FF) of 80.88%, while significantly suppressing the non-radiative recombination loss (ΔE3) to 0.190 eV. These results establish geometric complementarity and electrostatic homogeneity, achieved through topological engineering, as an effective route to improve the efficiency of OSCs.
PMID:
42625342
Bibliographic data and abstract were imported from PubMed on 21 Aug 2026.
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