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Enhancing the Photovoltaic Performance of Nonfullerene Acceptors via Conjugated Rotatable End Groups

机译：通过共轭可旋转端基增强非富勒烯受体的光伏性能

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摘要

Unlike varieties of well-known nonfullerene acceptors with rigid chemical structures, an acceptor-donor-acceptor (A-D-A)-type acceptor with conjugated rotatable end groups, a phenylethynyl-substituted acceptor (ITPN) is designed and synthesized. Compared with the ethynyl-substituted acceptor (ITEN) and a well-know small molecular electron acceptor (ITIC), ITPN molecules show reduced binding energy and reorganization energy, facilitated by the rotatability and the extended pi conjugation of phenylethynyl end groups. ITPN shows stronger molecular aggregation and more ordered arrangement, resulting in enhanced charge-transport properties. In the polymer solar cells, applying the fluorinated polymer (PBDB-TF) as the electron donor, the device based on ITPN yields a maximum power conversion efficiency of 12.6%, higher than that of an ITEN- or ITIC-based device. The work demonstrates that chemically modulating the end groups by the synergistic effect of rotatable end groups and extending the pi-conjugation length is an effective and straightforward way to improve the photovoltaic performance of A-D-A-type small molecular acceptors.
机译：与具有刚性化学结构的各种众所周知的非富勒烯受体不同，具有共轭可旋转端基的受体-供体-受体（A-D-A）型受体被设计并合成了苯乙炔基取代的受体（ITPN）。与乙炔基取代的受体（ITEN）和众所周知的小分子电子受体（ITIC）相比，ITPN分子显示出降低的结合能和重组能，这归因于苯基乙炔基端基的可旋转性和扩展的pi共轭作用。 ITPN显示出更强的分子聚集性和更有序的排列，从而增强了电荷传输性能。在聚合物太阳能电池中，将氟化聚合物（PBDB-TF）用作电子给体，基于ITPN的器件产生的最大功率转换效率为12.6％，高于基于ITEN或ITIC的器件。这项工作表明，通过可旋转端基的协同作用来化学调节端基并延长pi共轭长度是提高A-D-A型小分子受体光伏性能的有效而直接的方法。

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  • 来源
    《Advanced energy materials》 |2018年第31期|1802131.1-1802131.7|共7页
  • 作者

    Yu Runnan; Yao Huifeng; Hong Ling; Xu Ye; Gao Bowei; Zhu Jie; Zu Yunfei; Hou Jianhui;

  • 作者单位

    Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing 100190, Peoples R China;

    Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing 100190, Peoples R China;

    Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing 100190, Peoples R China;

    Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing 100190, Peoples R China;

    Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing 100190, Peoples R China;

    Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing 100190, Peoples R China;

    Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing 100190, Peoples R China;

    Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing 100190, Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
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  • 关键词

    intermolecular interactions; nonfullerene acceptors; polymer solar cells; rotatable end groups; pi-conjugation;

    机译：分子间相互作用;非富勒烯受体;聚合物太阳能电池;可旋转端基;π共轭;

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