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• W2897766783 abstract "The differences between the introduction of chlorine and fluorine atoms to small-molecule acceptors were deeply investigated. From the single-crystal structures of three molecules, the Cl-substitution intervention into the molecular configuration and packing mainly lies in three aspects as follows: single molecule configuration, one direction of the intermolecular arrangement, and three-dimensional (3D) molecular packing. First, the introduction of the chlorine atom in IDIC-4Cl leads to a more planar molecular configuration than IDIC-4H and IDIC-4F because of the formation of a molecular interlocked network induced by the strong Cl···S intermolecular interactions. Second, IDIC-4Cl shows the closest π–π stacking distance and the smallest dihedral angle (0°) between adjacent molecules to form ideal J-aggregation, which should be beneficial for charge transportation between different connected molecules in this direction. Finally, the interlocked interactions between Cl and S atoms lead to a highly ordered 3D molecular packing, in which the end groups will form an ideal overlapped packing among different molecules, whereas the other two analogues with H or F show less ordered packing of their 1,1-dicyanomethylene-3-indanone ending groups. Organic solar cells based on IDIC-4Cl show the highest power conversion efficiency (PCE) of 9.24%, whereas the PCEs of IDIC-4H- and IDIC-4F-based devices are 4.57 and 7.10%, respectively." @default.
• W2897766783 created "2018-10-26" @default.
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• W2897766783 date "2018-10-22" @default.
• W2897766783 modified "2023-10-16" @default.
• W2897766783 title "Chlorine Atom-Induced Molecular Interlocked Network in a Non-Fullerene Acceptor" @default.
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• W2897766783 doi "https://doi.org/10.1021/acsami.8b15923" @default.
• W2897766783 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30346123" @default.
• W2897766783 hasPublicationYear "2018" @default.
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