"H-Type" Like Constructed Dimer: Another Way to Enhance the Thermally Activated Delayed Fluorescence Effect

Thermally activated delayed fluorescence (TADF) materials are an essential part of TADF-based organic light-emitting diodes (OLEDs). All the reported methods to improve the performance of TADF materials were focused on achieving a high reverse intersystem crossing rate (k_RISC) and oscillator strength (f), but most of them were studies on single molecular states. In this paper, we have discovered a new dimer architecture called the "H-type" like dimer and proved that the "H-type" like dimer is another way to improve the performance of TADF materials by calculation and experiment. The calculated energy levels of excited states only provided 1.72-5.46% relative errors (RE) compare with the measured values, which indicated that the methods we chose were suitable for predicting the properties. The intermolecular interactions of the "H-type" like dimer endow it with much larger f and k_RISC properties than monomer states, proving that the "H-type" like dimer could improve the performance of TADF emitters.