Abstract
The hot exciton mechanism has joined TTA and TADF as one of the three fundamental theories widely recognized for overcoming the spin statistics constraint in FOLEDs. Although there has been many research and application of hot exciton materials in OLED, the relationship between the molecular structure and its performance of hot exciton material is still unclear. In this work, we performed a high-throughput quantum chemistry calculation for screening hot exciton materials. Ten thousand different molecules are calculated for the electronic donor or acceptor for hot exciton material molecule. Ten hot exciton material molecules were designed based on predicted properties, while other molecular properties were also analyzed. This research represents a significant opportunity to enhance our comprehension of the interplay between material structure and performance and could potentially accelerate the design of hot exciton materials.
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