Qin Yunke, Cheng Changli, Geng Hua, Wang Chao, Hu Wenping, Xu Wei, Shuai Zhigang, Zhu Daoben
Beijing National Laboratory for Molecular Sciences, Key Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China.
Chemistry Department, Tsinghua University, Beijing 100084, P. R. China.
Phys Chem Chem Phys. 2016 May 18;18(20):14094-103. doi: 10.1039/c6cp01509c.
Comprehensive investigations of crystal structures, electrical transport properties and theoretical simulations have been performed over a series of sulfur-bridged annulene-based donor-acceptor complexes with an alternate stacking motif. A remarkably high mobility, up to 1.57 cm(2) V(-1) s(-1) for holes and 0.47 cm(2) V(-1) s(-1) for electrons, was obtained using organic single crystal field-effect transistor devices, demonstrating the efficient ambipolar transport properties. These ambipolar properties arise from the fact that the electronic couplings for both holes and electrons have the same super-exchange nature along the alternate stacking direction. The magnitude of super-exchange coupling depends not only on the intermolecular stacking distance and pattern, but also the energy level alignments between the adjacent donor-acceptor moieties. The concluded transport mechanism and structure-property relationship from this research will provide an important guideline for the future design of organic semiconductors based on donor-acceptor complexes.
对一系列具有交替堆积结构的硫桥并苯类给体-受体配合物进行了晶体结构、电输运性质和理论模拟的综合研究。使用有机单晶场效应晶体管器件获得了高达1.57 cm² V⁻¹ s⁻¹的空穴迁移率和0.47 cm² V⁻¹ s⁻¹的电子迁移率，显示出高效的双极性传输特性。这些双极性特性源于空穴和电子的电子耦合在交替堆积方向上具有相同的超交换性质这一事实。超交换耦合的大小不仅取决于分子间堆积距离和模式，还取决于相邻给体-受体部分之间的能级排列。本研究得出的传输机制和结构-性质关系将为未来基于给体-受体配合物的有机半导体设计提供重要指导。
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