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J. G. S. Ramon and E. R. Bittner ABSTRACT

CHARGE-TRANSFER DYNAMICS IN MODEL POLYMER HETEROJUNCTION SYSTEMS. J. G. S. Ramon and E. R. Bittner ABSTRACT

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J. G. S. Ramon and E. R. Bittner ABSTRACT

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  1. CHARGE-TRANSFER DYNAMICS IN MODEL POLYMER HETEROJUNCTION SYSTEMS J. G. S. Ramon and E. R. Bittner ABSTRACT Polymer heterojunctions such as TFB:F8BT and PFB:F8BTblends exhibit photovoltaic and photoluminescent properties making them prime candidates for optoelectronic applications. Understanding the intricacies of the charge-transfer dynamics involved in these systems, particularly, among the lowest-lying excited states, may shed some insight into their behavior ultimately leading to improvements in design and efficiency. Here, we employ a two-band exciton model to investigate the essential electronic excited states of model donor-acceptor TFB:F8BT and PFB:F8BT systems. We adopt the Marcus-Hush semiclassical approach to study the state-to-state interconversions from the relaxed configurations of these excited states. Our results stress the significance of vibrational relaxation in the state-to-state relaxation. Our results show that a tightly bound charge-transfer state (exciplex) remain the lowest excited state in both models. However, we see the regeneration of the optically active lowest excitonic state in TFB:F8BT via the existence of a steady-state involving higher-lying excited states. The charge-transfer character of the lowest excited state gives rise to the photovoltaic behavior of both systems. However, the existence of an exciton regeneration pathway increases the photoluminescent properties of TFB:F8BT.

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