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11 January 2023 Bridging the scales: towards parameter-free simulation-aided OLED design from molecule to device
Engin Torun, Jacopo Marcheselli, Stefano Gottardi, Siebe van Mensfoort, Arthur Vauzelle, Harm van Eersel
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Proceedings Volume 12336, Frontiers in Luminescent Organic Semiconductor Materials and Devices; 1233607 (2023) https://doi.org/10.1117/12.2644919
Event: SPIE Photonex, 2022, Birmingham, United Kingdom
Abstract
In the OLED industry, materials and devices are often optimized independently, making the process time-consuming and expensive. To address this, we are developing a toolchain for parameter-free simulation-aided OLED design from molecule all the way up to device. In this toolchain, the molecular level properties are calculated using accurate quantum chemistry simulations in a realistic morphology. These nanoscale morphologies are then scaled to device-scale morphologies that can be used as input for the device level simulations. In this talk, we will show how this approach enables optimizing the molecular and stack properties simultaneously and ultimately can reduce time-to-market and costs.
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Engin Torun, Jacopo Marcheselli, Stefano Gottardi, Siebe van Mensfoort, Arthur Vauzelle, and Harm van Eersel "Bridging the scales: towards parameter-free simulation-aided OLED design from molecule to device", Proc. SPIE 12336, Frontiers in Luminescent Organic Semiconductor Materials and Devices, 1233607 (11 January 2023); https://doi.org/10.1117/12.2644919
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KEYWORDS
Organic light emitting diodes
Molecules
Excitons
Molecular interactions
Chemistry
Ionization
Light sources and illumination
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