Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume -, Issue -, Pages 2331-2338Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.3c00262
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This study extracted the stacked structures of the archetype fused-ring electron acceptor molecule, ITIC, based on four polymorphic crystals. The relationship between molecular stacking modes and exciton migration/charge transport properties was investigated using intermolecular Coulomb coupling and charge transfer integral calculation. The thin film texture was experimentally crystallized through a post-annealing treatment, leading to enhanced exciton migration through exciton-exciton annihilation.
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.
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