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Journal Article
Exploring the Potential of QSAR in the Discovery of Novel Green TADF Materials: An Experimental and Theoretical Study
- Authors
- Jee Hyun Maeng, Dae Hyun Ahn, Chul Woong Joo, Jung Ho Ham, Se Chan Cha, Young Hun Jung, Jang Hyuk Kwon
- Issue Date
- 2024-09
- Citation
- Journal of Information Display, v.권호미정, pp.1-12
- ISSN
- 1598-0316
- Publisher
- Taylor & Francis
- Language
- English
- Type
- Journal Article
- Abstract
- Thermally activated delayed fluorescence (TADF) materials have garnered significant attention in developing high-efficiency organic light-emitting diodes (OLEDs) for next-generation displays. Despite the progress in TADF research, the increasing complexity of molecular structures poses challenges in material design and synthesis. This study explores the potential of quantitative structure–activity relationship (QSAR) calculations, particularly AutoQSAR, to streamline TADF OLED material selection and design. By leveraging the predictive capabilities of QSAR, we aimed to enhance the accuracy and efficiency of material development. We employed computational modeling, synthesis, and device fabrication to evaluate the performance of a newly developed green TADF dopant material. Our findings indicate that QSAR-guided design predicts material properties effectively and optimizes OLED performance. The synthesized TADF material demonstrated promising efficiency, highlighting the advantages of integrating QSAR calculations into the material discovery process. This study underscores the feasibility of QSAR methodologies in the context of OLED materials, suggesting a pathway for faster and more accurate development. Future improvements in QSAR techniques and collaborative efforts between computational and experimental research will be essential in driving further advancements in OLED technology.
- KSP Keywords
- Accuracy and efficiency, Activity relationship, Discovery process, Dopant material, Experimental and theoretical study, Experimental research, Material Selection, Molecular structure, Next-generation, OLED technology, Predictive Capabilities
This work is distributed under the term of Creative Commons License (CCL)
(CC BY)
(CC BY)
