Understanding the charge transport and polarities in organic donor-acceptor mixed-stack crystals: Molecular insights from the super-exchange couplings

Hua Geng; Xiaoyan Zheng; Zhigang Shuai; Lingyun Zhu; Yuanping Yi

doi:10.1002/adma.201404412

Understanding the charge transport and polarities in organic donor-acceptor mixed-stack crystals: Molecular insights from the super-exchange couplings

Hua Geng, Xiaoyan Zheng, Zhigang Shuai^*, Lingyun Zhu, Yuanping Yi

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

103 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	1443-1449
Number of pages	7
Journal	Advanced Materials
Volume	27
Issue number	8
DOIs	https://doi.org/10.1002/adma.201404412
Publication status	Published - 25 Feb 2015
Externally published	Yes

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abstract = "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.",

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AU - Geng, Hua

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AU - Shuai, Zhigang

AU - Zhu, Lingyun

AU - Yi, Yuanping

PY - 2015/2/25

Y1 - 2015/2/25

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AB - 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.

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JO - Advanced Materials

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Understanding the charge transport and polarities in organic donor-acceptor mixed-stack crystals: Molecular insights from the super-exchange couplings

Abstract

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