title: Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory.
abstract: 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.
authors.affiliation: Beijing National Laboratory for Molecular Sciences, Key Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China. hgeng@iccas.ac.cn wxu@iccas.ac.cn zhudb@iccas.ac.cn and University of Chinese Academy of Sciences, Beijing, 100049, P. R. China.
authors.forename: Yunke
authors.initials: Y
authors.lastname: Qin
authors.affiliation: Chemistry Department, Tsinghua University, Beijing 100084, P. R. China. zgshuai@tsinghua.edu.cn.
authors.forename: Changli
authors.initials: C
authors.lastname: Cheng
authors.affiliation: Beijing National Laboratory for Molecular Sciences, Key Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China. hgeng@iccas.ac.cn wxu@iccas.ac.cn zhudb@iccas.ac.cn.
authors.forename: Hua
authors.initials: H
authors.lastname: Geng
authors.affiliation: Beijing National Laboratory for Molecular Sciences, Key Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China. hgeng@iccas.ac.cn wxu@iccas.ac.cn zhudb@iccas.ac.cn and University of Chinese Academy of Sciences, Beijing, 100049, P. R. China.
authors.forename: Chao
authors.initials: C
authors.lastname: Wang
authors.affiliation: Beijing National Laboratory for Molecular Sciences, Key Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China. hgeng@iccas.ac.cn wxu@iccas.ac.cn zhudb@iccas.ac.cn.
authors.forename: Wenping
authors.initials: W
authors.lastname: Hu
authors.affiliation: Beijing National Laboratory for Molecular Sciences, Key Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China. hgeng@iccas.ac.cn wxu@iccas.ac.cn zhudb@iccas.ac.cn.
authors.forename: Wei
authors.initials: W
authors.lastname: Xu
authors.affiliation: Chemistry Department, Tsinghua University, Beijing 100084, P. R. China. zgshuai@tsinghua.edu.cn.
authors.forename: Zhigang
authors.initials: Z
authors.lastname: Shuai
authors.affiliation: Beijing National Laboratory for Molecular Sciences, Key Laboratory of Organic Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China. hgeng@iccas.ac.cn wxu@iccas.ac.cn zhudb@iccas.ac.cn.
authors.forename: Daoben
authors.initials: D
authors.lastname: Zhu