Video: Modeling OLED – From Molecule to Device in Data-driven R&D Acceleration
SCM Developer Bart Klumpers talked at the OLEDs world summit about modeling OLEDs from molecules to devices. Introducing SCM’s Bumblebee, a powereful 3D-kMC (kinetic Monte Carlo) simulation tool for OLED stacks.
Abstract
To further improve the efficiency and life-time of organic light-emitting diodes (OLEDs), ultimately the properties of underlying materials need to be tweaked at the molecular level. In materials science molecular modeling has become a more wide-spread tool integrated with experiments for a holistic research & development approach. Important properties for OLEDs can be predicted with advanced quantum chemistry methods. We will discuss how to model charge mobility, exciton mobility, phosphorescence lifetimes, TADF & spectra. We will also discuss future developments to further improve accuracy and access to other properties such as exciton-polaron quenching and triplet-triplet annihilation.
