Dresden 2017 – wissenschaftliches Programm
CPP 46.6: Vortrag
Mittwoch, 22. März 2017, 16:15–16:30, CHE 91
Modeling of singlet fission in weakly-interacting acene molecules — Sharareh Izadnia1, David W. Schönleber2, •Alexander Eisfeld2, Alexander Ruf1, Aaron C. LaForge1, and Frank Stienkemeier1 — 1Physikalisches Institut, Universität Freiburg, Hermann-Herder-Str. 3, 79104 Freiburg, Germany — 2Max-Planck-Institut für Physik komplexer Systeme, 01187 Dresden
Singlet fission, a process in which a singlet excited state is converted into two triplet states, is a means to circumvent the Shockley-Queisser limit for energy conversion in solar cells. In a recent experiment, singlet fission was observed in a disordered system where organic chromophores are distributed on the surface of a rare gas cluster. Here we give details on the theoretical modeling of singled fission in this system. Our kinematic model explicitly takes into account the details of the geometrical arrangement of the system as well as the time-dependent populations of the relevant states of each molecule. Using this model, which goes beyond usual mean-field treatment, we study the trends obtained by singlet fission, exciton-exciton annihilation, and singlet hopping on the experimental observables. Our simulations support the conclusion of the experimental observation that SF is present even at weakly interacting conditions.