Samuele Giannini, Wei-Tao Peng, Lorenzo Cupellini, Daniele Padula, Antoine Carof & Jochen Blumberger
A novel non-adiabatic molecular dynamics simulation is introduced for time-propagation of electronic excitations in organic semiconductors, suggesting that exciton transport in these materials occurs via transient quantum delocalizations.
Giannini, S., Peng, WT., Cupellini, L. et al. Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization. Nat Commun 13, 2755 (2022). https://doi.org/10.1038/s41467-022-30308-5