Researchers at Harvard University, the Massachusetts Institute of Technology, and Samsung say they have designed new blue-light-emitting molecules for organic light-emitting diodes (OLEDs) that could dramatically improve displays for TVs, phones, and tablets.
OLEDs are replacing liquid-crystal displays in high-end consumer devices, but they are less competitive in large displays such as TVs due to the lack of stable and efficient blue materials. The Harvard team focused on a solution of entirely organic molecules.
The researchers began by building libraries of more than 1.6 million candidate molecules and developed machine-learning algorithms to predict which molecules were likely to have good outcomes, and prioritize those to be virtually tested.
The team also built a Web application for collaborators to explore the results of more than 500,000 quantum chemistry simulations. The researchers were left with hundreds of molecules that perform as well as, if not better than, state-of-the-art metal-free OLEDs.
"This research is an intermediate stop in a trajectory towards more and more advanced organic molecules that could be used in flow batteries, solar cells, organic lasers, and more," says Harvard professor Alan Aspuru-Guzik.
From Harvard Gazette
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