Researchers at Nagoya University and Kyushu University have utilized AI and machine learning to design new OLED TADF emitter molecules, focusing on "boron-free" 13-ring frameworks.
The researchers restricted the molecules to contain only carbon, hydrogen and nitrogen atoms, and generated a virtual library with more than 19,000 molecules.
Finally, the two most promising molecules were selected to be synthesized and tested in actual OLED devices.
The two molecules Cz-PAH-1, and Cz-PAH-2, exhibited narrow bandwidths blue emission, with photoluminescence quantum yields close to 100%.
2020 ultra-high-definition display standard, while a device using Cz-PAH-2 achieved an exceptionally high maximum external quantum efficiency of 35.2%.
Researchers at Nagoya University and Kyushu University have utilized AI and machine learning to design new OLED TADF emitter molecules, focusing on "boron-free" 13-ring frameworks.
The researchers restricted the molecules to contain only carbon, hydrogen and nitrogen atoms, and generated a virtual library with more than 19,000 molecules. Out of these molecules, 17,000 could be 3D modeled, and then after large-scale screening, 50 promising candidates were selected for higher-level quantum chemical calculations. Finally, the two most promising molecules were selected to be synthesized and tested in actual OLED devices.
The two molecules Cz-PAH-1, and Cz-PAH-2, exhibited narrow bandwidths blue emission, with photoluminescence quantum yields close to 100%. A device based on Cz-PAH-1 approached the blue-primary color defined by the next-generation Rec. 2020 ultra-high-definition display standard, while a device using Cz-PAH-2 achieved an exceptionally high maximum external quantum efficiency of 35.2%.
