Virtual Screening of TADF Emitters for Single-Layer OLEDs

Thermally-activated delayed fluorescence (TADF) is a concept which helps to harvest triplet excitations, boosting the efficiency of an organic light-emitting diode. TADF can be observed in molecules with spatially separated donor and acceptor groups with a reduced triplet-singlet energy level splitting. TADF materials with balanced electron and hole transport are attractive for realizing efficient single-layer organic light emitting diodes, greatly simplifying their manufacturing and improving their stability. Our goal here is to computationally screen such materials and provide a comprehensive database of compounds with a range of emission wavelengths, ionization energies, and electron affinities

Determination of the trap-assisted recombination strength in polymer light emitting diodes

The recombination processes in poly(p-phenylene vinylene) based polymer light-emitting diodes (PLEDs) are investigated. Photogenerated current measurements on PLED device structures reveal that next to the known Langevin recombination also trap-assisted recombination is an important recombination channel in PLEDs, which has not been considered until now. The dependence of the open-circuit voltage on light intensity enables us to determine the strength of this process. Numerical modeling of the current-voltage characteristics incorporating both Langevin and trap-assisted recombination yields a correct and consistent description of the PLED, without the traditional correction of the Langevin prefactor. At low bias voltage the trap-assisted recombination rate is found to be dominant over the free carrier recombination rate.