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24 August 2020 In silico material design for OLEDs realizing very fast reverse intersystem crossing
Hironori Kaji
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Proceedings Volume 11473, Organic and Hybrid Light Emitting Materials and Devices XXIV; 1147307 (2020) https://doi.org/10.1117/12.2568300
Event: SPIE Organic Photonics + Electronics, 2020, Online Only
Abstract
Reverse intersystem crossing (RISC) is the most crucial process in recently-developed thermally activated delayed fluorescence (TADF). Inclusion of locally excited triplet state(s) is considered to accelerate RISC. In this study, we show a systematic in silico design of TADF materials with very fast RISC. We also show our recent study on multiscale charge transport simulations based on the combination of quantum chemical calculations, molecular dynamics simulations, and kinetic Monte Carlo simulations.
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Hironori Kaji "In silico material design for OLEDs realizing very fast reverse intersystem crossing", Proc. SPIE 11473, Organic and Hybrid Light Emitting Materials and Devices XXIV, 1147307 (24 August 2020); https://doi.org/10.1117/12.2568300
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KEYWORDS
Organic light emitting diodes
Monte Carlo methods
Luminescence
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