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Updated: Dec 31, 2025

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Published on: January 10, 2017
Regulating the Packing of Non-Fullerene Acceptors via Multiple Noncovalent Interactions for Enhancing the Performance
Shiyu Feng1,2, Miao Li1, Ningning Tang3
1Key Laboratory of Energy Conversion and Storage Materials, College of Chemistry, Center for Advanced Quantum Studies, Department of Physics and Applied Optics, Beijing Area Major Laboratory , Beijing Normal University , Beijing 100875 , P. R. China.
Abstract:
Three noncovalently fused-ring electron acceptors (FOC6-IC, FOC6-FIC, and FOC2C6-2FIC) are synthesized. Single crystals of FOC6-IC and FOC2C6-2FIC are prepared, and structure analyses reveal that the molecular backbone can be planarized via the formation of the intramolecular noncovalent interactions. These acceptor molecules can be packed closely in the solid state via π-π stacking and static interactions between the central phenylene unit and the terminal group with a distance of 3.3-3.4 Å. Besides, multiple intermolecular noncovalent interactions can be observed in the single crystal structure of the fluorinated acceptor FOC2C6-2FIC, which help increase the crystallinity of acceptors and the charge mobility of the blends. Photovoltaic devices based on FOC2C6-2FIC give a power conversion efficiency of 12.36%, higher than 12.08% for FOC6-FIC and 10.80% for FOC6-IC.
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