Using a resistor network to simulate charge transport in organic semiconductors through injection layers and transport layers

Abstract In the advancement of organic semiconductor devices, computer simulations now provide performance predictions and valuable insights into the inner mechanisms of potential device architectures, streamlining the need for time-intensive laboratory experiments. The Kinetic Monte Carlo method is a well-established approach for simulations of organic semiconductors on a mesoscopic scale, modeling charge carrier hopping by sampling discrete time steps. However, this method exhibits slow convergence for complex device architectures and systems with high charge carrier densities as typical for doped injection layers or transport layers. Here, we demonstrate an approach to compute charge transport even in samples with high charge carrier densities, utilizing a Resistor Network model with time-independent resistances. Using this approach we can reproduce current densities for a variety of device architectures while drastically reducing the computational time. Hence, this method can be used to simulate charge transport in non-emitting device layers tenfold faster than with a pure Kinetic Monte Carlo simulation.