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Understanding the Charge Transport and Polarities in Organic Donor–Acceptor Mixed‐Stack Crystals: Molecular Insights from the Super‐Exchange Couplings
Author(s) -
Geng Hua,
Zheng Xiaoyan,
Shuai Zhigang,
Zhu Lingyun,
Yi Yuanping
Publication year - 2015
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/adma.201404412
Subject(s) - ambipolar diffusion , stack (abstract data type) , chemical physics , homo/lumo , materials science , polarity (international relations) , charge (physics) , acceptor , electron transport chain , coupling (piping) , charge exchange , electron , molecular physics , condensed matter physics , molecule , chemistry , physics , ion , organic chemistry , biochemistry , quantum mechanics , computer science , metallurgy , cell , programming language
Charge transport and polarity in organic D–A mixed‐stack crystals are examined in terms of super‐exchange electronic couplings. When the super‐exchange coupling is dominated by the interaction between donor HOMO and acceptor LUMO, ambipolar transport is achieved. Otherwise, involvement of other bridge orbitals can lead to unbalanced, even to unipolar transport in a special case that the HOMO–LUMO interaction vanishes.