Formation Pathways of the Spin-Correlated, Spatially Separated ${}^1$(T...T) State in the Singlet Fission Process of Perylene Diimide Stacks

Anurag Singh, Merle I. S. Röhr

For the theoretical screening of Singlet Fission (SF) rates in molecular aggregates, commonly dimer model systems are employed. However, there is experimental evidence, that the SF…