The Crystalline Behavior and Device Function of Nonfullerene Acceptors in Organic Solar Cells

Xu, Jinqiu; Lin, Francis; Zhu, Lei; Zhang, Ming; Hao, Tianyu; Zhou, Guanqing; Gao, Ke; Zou, Yecheng; Wei, Gang; Yi, Yuanping; Jen, Alex K.‐Y.; Zhang, Yongming; Liu, Feng

doi:10.1002/aenm.202201338

Title: The Crystalline Behavior and Device Function of Nonfullerene Acceptors in Organic Solar Cells

Journal Article · 21 July 2022 · Advanced Energy Materials

DOI: https://doi.org/10.1002/aenm.202201338 · OSTI ID:1981377

Xu, Jinqiu ^[1]; Lin, Francis ^[2]; Zhu, Lei ^[1]; Zhang, Ming ^[1]; Hao, Tianyu ^[1]; Zhou, Guanqing ^[1]; Gao, Ke ^[3]; Zou, Yecheng ^[4]; Wei, Gang ^[4]; Yi, Yuanping ^[5]; Jen, Alex K.‐Y. ^[6]; Zhang, Yongming ^[1];

^[1]

Shanghai Jiao Tong University (China)
University of Washington, Seattle WA (United States); City University of Hong Kong (China)
University of Washington, Seattle WA (United States); Shanghai Jiao Tong University (China)
State Key Laboratory of Fluorinated Functional Membrane Materials, Zibo City (China); Dongyue Future Hydrogen Energy Materials Company, Zibo City (China)
Chinese Academy of Sciences (CAS), Beijing (China)
University of Washington, Seattle, WA (United States); City University of Hong Kong (China)

The current research investigates the structure features and intermolecular interactions of nonfullerene acceptors (NFAs) in single crystal and thin films, as well as their solar cell applications. Guiding parameters and key intermolecular forces that lead to 2D brickwork or 3D web packing are identified. The atomic modification is shown as the key to induce hydrogen bonding or π–π stacking column, which results in different crystalline packing. The molecular assembly in thin film is initiated by hydrogen bonding and completed by π–π stacking reorganization. The packing energy is seen as a guiding parameter that dictates the NFA crystalline morphology in blended thin films. The crystalline packing motif is not directly related with device efficiency. However, the crystalline morphology is the key parameter to influence exciton/carrier dynamics and device performance. In conclusion, a broader picture on the scaling behavior of organic semiconductor crystals ranging from oligoacenes to NFAs is established.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)

Sponsoring Organization:: Innovation and Technology Bureau (ITB); National Natural Science Foundation of China (NSFC); Natural Science Foundation of Shandong Province; US Department of the Navy, Office of Naval Research (ONR); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1981377

Journal Information:: Advanced Energy Materials, Journal Name: Advanced Energy Materials Journal Issue: 34 Vol. 12; ISSN 1614-6832

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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14 SOLAR ENERGY
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nonfullerene acceptor
organic photovoltaics

CCDC 2151875: Experimental Crystal Structure Determination JinQiu, Xu, https://doi.org/10.5517/ccdc.csd.cc2b76b4 The current record is supplemented by this dataset	dataset	January 2022
CCDC 2151880: Experimental Crystal Structure Determination Jinqiu, Xu,; Francis, Lin,; Lei, Zhu, https://doi.org/10.5517/ccdc.csd.cc2b76h9 The current record is supplemented by this dataset	dataset	January 2023
CCDC 2151881: Experimental Crystal Structure Determination Jinqiu, Xu,; Francis, Lin,; Lei, Zhu, https://doi.org/10.5517/ccdc.csd.cc2b76jb The current record is supplemented by this dataset	dataset	January 2023
CCDC 2151882: Experimental Crystal Structure Determination Jinqiu, Xu,; Francis, Lin,; Lei, Zhu, https://doi.org/10.5517/ccdc.csd.cc2b76kc The current record is supplemented by this dataset	dataset	January 2023

Title: The Crystalline Behavior and Device Function of Nonfullerene Acceptors in Organic Solar Cells

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