Five-state HEOM simulation of Y6 dimers identifies an aggregation-enabled intermolecular charge-transfer route to triplets that is absent in the monomer and shows Marcus theory fails on long-time yields.
Exciton Binding Energy of Non‐Fullerene Electron Acceptors , volume =
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Tuning range-separated hybrids for Y6 shows shorter range-separation parameters improve accuracy for non-fullerene acceptors, with solvatochromism partly from oscillator strength borrowing between charge-transfer and Frenkel excitons.
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Quantum dynamic simulation of triplet formation in an effective model of Y6 (BTP-4F)
Five-state HEOM simulation of Y6 dimers identifies an aggregation-enabled intermolecular charge-transfer route to triplets that is absent in the monomer and shows Marcus theory fails on long-time yields.
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Correcting hybrid density functionals to model Y6 and other non-fullerene acceptors
Tuning range-separated hybrids for Y6 shows shorter range-separation parameters improve accuracy for non-fullerene acceptors, with solvatochromism partly from oscillator strength borrowing between charge-transfer and Frenkel excitons.