Energetics of the Charge Generation in Organic Donor-Acceptor Interfaces

@article{Andermann2021EnergeticsOT,
  title={Energetics of the Charge Generation in Organic Donor-Acceptor Interfaces},
  author={Artur M. Andermann and Luis G. C. Rego},
  journal={The Journal of Chemical Physics},
  year={2021}
}
Non-fullerene acceptor (NFA) materials have posed new paradigms for the design of organic solar cells (OSC), whereby efficient carrier generation is obtained with small driving forces, in order to maximize the open-circuit voltage (VOC). In this paper we use a coarsegrained mixed quantum-classical method, that combines Ehrenfest and Redfield theories, to shed light on charge generation process in small energy offset interfaces. We have investigated the influence of the energetic driving force… 

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