Dynamic equilibrium between singlet and intermolecular charge-transfer state in Y-series non-fullerene acceptors
Tong Wang a, Yifan Dong a, Ziming Chen a, Pabitra Shakya Tuladhar a, Rose Newman a, Tack Ho Lee a, Luke Reid a, Artem Bakulin a
a Department of Chemistry and Centre for Processible Electronics, Imperial College London, London W12 0BZ, United Kingdom
International Conference on Hybrid and Organic Photovoltaics
Proceedings of International Conference on Hybrid and Organic Photovoltaics (HOPV23)
London, United Kingdom, 2023 June 12th - 14th
Organizers: Tracey Clarke, James Durrant and Trystan Watson
Poster, Tong Wang, 133
Publication date: 30th March 2023

Development and utilization of non-fullerene acceptors (NFAs) in organic photovoltaics have boosted the device efficiency to ~20%, much higher than those based on fullerene acceptors. Among various high-performance NFA families, Y-series NFA is one of the most intriguing categories. the curved A-DA'D-A molecular structure enables strong intermolecular interactions between Y-molecules that could form intermolecular charge-transfer (CT) states. Several models have been proposed to understand the charge transfer mechanisms in the efficient donor/Y-series NFA systems. However, the photophysics within neat Y-series NFA films is still in contradictory in literatures, resulting in an unclear picture of the charge carrier dynamics in Y-series NFAs.

Here, we combined four different steady-state and time-resolved spectroscopies to study Y-series materials with controlled intermolecular interactions to work out a unified model of photophysics in Y-series NFA. First, our experiments confirmed existence of multiple states, especially sub-gap CT state, in neat Y-series films. Second, we confirmed the CT state locates ~20 meV lower than the singlet state. Due to the very small energy difference, we observed that the singlet state and CT state are in thermal equilibrium which dominates the kinetics of the two states as a function of temperature.

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