Organic light-emitting diodes (OLEDs) offer a solution to low-cost, high-resolution flat panel displays. Recently, Chihaya Adachi and co-workers developed highly efficient OLEDs by employing the thermally activated delayed fluorescence (TADF) mechanism, which requires a small gap between the lowest excited singlet and triplet states and a large transition dipole moment for fluorescence. However, due to opposing orbital overlap requirements, these properties are rarely present in the same molecule. This makes TADF a very difficult chemical phenomenon to achieve. By taking advantage of parallel GPU computing and genetic algorithms, we are able to prescreen a large number of possible candidates and evolve the molecules towards the desired properties. The optimal candidates identified in our study are novel molecules, some of which have similar structures to emitters known to undergo TADF.

Evolutionary design of emitters for organic light-emitting diodes

251st National Meeting (2016)

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