Simulation of exciton transport in binary molecular crystals and comparison with experiments in chemically mixed crystals Original Research Article

Hopping transport by tunneling in a binary molecular crystal is simulated by means of the minimal process algorithm. The model parameters and energy levels are adapted to the system p-dichlorobenzene (DCB) in p-dibromobenzene (DBB). The exciton population on DCB guest monomers can decrease via transport to traps formed by guest clusters as well as via decay on special host molecules. The agreement with the experimental data is satisfactory in the measured concentration range. An attempt to describe the temperature dependence reproduces qualitatively the measured behavior.