Tuning the orientation of the transition dipoles of emitter molecules in organic layers for optimal outcoupling efficiency is an essential ingredient towards 100% quantum efficiency of OLED devices. The molecular orientation of emitters is determined by the interaction with their host materials. Here we present a systematic study of the impact of functional side groups of emitter molecules on the alignment of their transition dipoles in a CBP host, and illustrate how virtual experiments can aid the design of emitter molecules.
The workflow as predefined in the trial version of our virtual lab (available here) is illustrated in the figure to the right. Details on the setup of this use case will follow shortly. In the meanwhile, checkout the publication below the illustration at the top of this page for a preview of the results. Feel free to contact us at VirtualLab@nanomatch.com for a quickstart guide on this usecase.