Multi-scale molecular dynamics simulations of enhanced energy transfer in organic molecules under strong coupling.

ABSTRACT: Exciton transport can be enhanced in the strong coupling regime where excitons hybridize with confined light modes to form polaritons. Because polaritons have group velocity, their propagation should be ballistic and long-ranged. However, experiments indicate that organic polaritons propagate in a diffusive manner and more slowly than their group velocity. Here, we resolve this controversy by means of molecular dynamics simulations of Rhodamine molecules in a Fabry-Pérot cavity. Our results suggest that polariton propagation is limited by the cavity lifetime and appears diffusive due to reversible population transfers between polaritonic states that propagate ballistically at their group velocity, and dark states that are stationary. Furthermore, because long-lived dark states transiently

SUBMITTER: Sokolovskii I 

PROVIDER: S-EPMC10587084 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature