Systematic kMC Study of Doped Hole Injection Layers in Organic Electronics

Organic light emitting diodes (OLED) play an important role in commercial displays and are promising candidates for energy-efficient lighting applications. Although they have been continuously developed since their discovery in 1987, some unresolved challenges remain. The performance of OLEDs is determined by a multifaceted interplay of materials and device architectures. A commonly used technique to overcome the charge injection barrier from the electrodes to the organic layers, are doped injection layers. The optimization of doped injection layers is critical for high-efficiency OLED devices, but has been driven mainly by chemical intuition and experimental experience, slowing down the progress in this field. Therefore, computer-aided methods for material and device modeling are promising tools to accelerate the device development process. In this work, we studied the effect of doped hole injection layers on the injection barrier in dependence on material and layer properties by using a parametric kinetic Monte Carlo model. We were able to quantitatively elucidate the influence of doping concentration, material properties, and layer thickness on the injection barrier and device conductivity, leading to the conclusion that our kMC model is suitable for virtual device design.

Automated summary

Organic light emitting diodes (OLED) are important for commercial displays and energy-efficient lighting. However, there are unresolved challenges in their development. Doped injection layers are commonly used to overcome charge injection barriers, but progress has been slow. Computer-aided methods can help accelerate device development. By using a kinetic Monte Carlo model, this study examined the effect of doped hole injection layers on injection barriers and device conductivity, providing insights for virtual device design.