التفاصيل البيبلوغرافية
| العنوان: |
Quantitative prediction of rate constants and its application to organic emitters. |
| المؤلفون: |
Shizu, Katsuyuki, Kaji, Hironori |
| المصدر: |
Nature Communications; 6/3/2024, Vol. 15 Issue 1, p1-11, 11p |
| مصطلحات موضوعية: |
FIELD emission, DELAYED fluorescence, DECAY constants, REDUCED instruction set computers |
| مستخلص: |
Many phenomena in nature consist of multiple elementary processes. If we can predict all the rate constants of respective processes quantitatively, we can comprehensively predict and understand various phenomena. Here, we report that it is possible to quantitatively predict all related rate constants and quantum yields without conducting experiments, using multiple-resonance thermally activated delayed fluorescence (MR–TADF) as an example. MR–TADFs are excellent emitters because of its narrow emission, high luminescence efficiency, and chemical stability, but they have one drawback: slow reverse intersystem crossing (RISC), leading to efficiency roll-off and reduced device lifetime. Here, we show a quantum chemical calculation method for quantitatively obtaining all the rate constants and quantum yields. This study reveals a strategy to improve RISC without compromising other important factors: radiative decay rate constants, photoluminescence quantum yields, and emission linewidths. Our method can be applied in a wide range of research fields, providing comprehensive understanding of the mechanism including the time evolution of excitons. The quantitative prediction of rate constants and quantum yields is crucial to understand various phenomena and their mechanisms in nature. Here, the authors apply quantum chemical calculation to reproduce experimental data of multiple-resonance thermally activated delayed fluorescence emitters. [ABSTRACT FROM AUTHOR] |
|
Copyright of Nature Communications is the property of Springer Nature and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) |
| قاعدة البيانات: |
Complementary Index |
Find this article in full text from Springer Verlag. 
Full Text Finder