The Multiplicity of π–π Interactions of Fused-Ring Electron Acceptor Polymorphs on the Exciton Migration and Charge Transport

Efficient long-range exciton migration and charge transport are the key parameters for organic photovoltaic materials, which strongly depend on the molecular stacking modes. Herein, we extracted the stacked structures of the archetype fused-ring electron acceptor molecule, ITIC, based on the informa...

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Published inThe journal of physical chemistry letters Vol. 14; no. 9; pp. 2331 - 2338
Main Authors Xie, Guojing, Zhou, Jiadong, Tang, Ningning, Zhang, Yu, Liu, Linlin, Xie, Zengqi, Ma, Yuguang
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 09.03.2023
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Physical Insights into Materials and Molecular Properties
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Abstract Efficient long-range exciton migration and charge transport are the key parameters for organic photovoltaic materials, which strongly depend on the molecular stacking modes. Herein, we extracted the stacked structures of the archetype fused-ring electron acceptor molecule, ITIC, based on the information on four polymorphic crystals and investigated the relationship between molecular stacking modes and exciton migration/charge transport properties through the intermolecular Coulomb coupling and charge transfer integral calculation. Experimentally, the thin film texture is crystallized through a post-annealing treatment through grazing-incidence wide-angle X-ray scattering (GIWAXS) measurements, which lead to the enhanced exciton migration through exciton–exciton annihilation in the femtosecond transient absorption (fs-TA) measurements. This work demonstrates the relationship between the molecular arrangement and the exciton migration and electron transport and highlights the significance of optimizing molecular stacking for the development of high-performance electron acceptor materials.
AbstractList Efficient long-range exciton migration and charge transport are the key parameters for organic photovoltaic materials, which strongly depend on the molecular stacking modes. Herein, we extracted the stacked structures of the archetype fused-ring electron acceptor molecule, ITIC, based on the information on four polymorphic crystals and investigated the relationship between molecular stacking modes and exciton migration/charge transport properties through the intermolecular Coulomb coupling and charge transfer integral calculation. Experimentally, the thin film texture is crystallized through a post-annealing treatment through grazing-incidence wide-angle X-ray scattering (GIWAXS) measurements, which lead to the enhanced exciton migration through exciton–exciton annihilation in the femtosecond transient absorption (fs-TA) measurements. This work demonstrates the relationship between the molecular arrangement and the exciton migration and electron transport and highlights the significance of optimizing molecular stacking for the development of high-performance electron acceptor materials.
Author Zhou, Jiadong
Tang, Ningning
Ma, Yuguang
Zhang, Yu
Xie, Zengqi
Liu, Linlin
Xie, Guojing
AuthorAffiliation State Key Laboratory of Luminescent Materials and Devices, Institute of Polymer Optoelectronic Materials and Devices, Guangdong Provincial Key Laboratory of Luminescence from Molecular Aggregates
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Snippet Efficient long-range exciton migration and charge transport are the key parameters for organic photovoltaic materials, which strongly depend on the molecular...
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Title The Multiplicity of π–π Interactions of Fused-Ring Electron Acceptor Polymorphs on the Exciton Migration and Charge Transport
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