Toward High Performance Ambipolar Transport from Super-exchange Perspective:Theoretical Insights for ⅡD-based Copolymers

• 作者: Wei-Na Zhang Xiao-Qian Wu Guo Wang Yu-Ai Duan Hua Geng Yi Liao
• 来源期刊: 高分子科学（英文版）
• 年，卷（期）: 2022,（4）
• 所属期刊栏目: RESEARCH ARTICLES
• 页码范围: 355-364
• 页数: 10页
• 语种: 英文

摘要

High-performance ambipolar charge transport materials can reduce the manufacturing cost of OFET and OPV devices,and simplify circuit design and device structure.In order to obtain ambipolar donor-acceptor(D-A)polymer,many efforts have been made through different donor and acceptor combination,halogenation or heteroatom substitution.However,the influencing factor for charge transport polarity is still much complicated.Based on intra-chain super-exchange mechanism for D-A polymer,we found that the energy alignment of donor and acceptor moiety has large impact on charge transport polarity.When the HOMO-LUMO(H-L)gap of the acceptor moiety is narrow,its HOMO/LUMO energy level both lie between the HOMO and LUMO of the donor moiety(sandwich-type energy alignment),and the corresponding D-A copolymers will be more likely ambipolar transport.And thus,take a narrow H-L gap thiazoleisoindigo(TzⅡD)acceptor as an example,we demonstrated that a series of TzⅡD based copolymers combined with wide H-L gap donor moieties can reveal ambipolar transport.We further predict several high performance ambipolar D-A copolymers(TzⅡD-TT etc.)with balanced electron and hole transport,whose effective mass(me*=0.146 and mh*=0.128)is one of the smallest effective masses among ambipolar materials.