系统间交叉
背景(考古学)
单重态
化学物理
自旋(空气动力学)
分子
激发态
电荷(物理)
三重态
单重态裂变
物理
材料科学
化学
原子物理学
量子力学
古生物学
生物
热力学
作者
Hyung Suk Kim,Sang Hoon Lee,Seunghyup Yoo,Chihaya Adachi
标识
DOI:10.1038/s41467-024-46406-5
摘要
Despite significant progress made over the past decade in thermally activated delayed fluorescence (TADF) molecules as a material paradigm for enhancing the performance of organic light-emitting diodes, the underlying spin-flip mechanism in these charge-transfer (CT)-type molecular systems remains an enigma, even since its initial report in 2012. While the initial and final electronic states involved in spin-flip between the lowest singlet and lowest triplet excited states are well understood, the exact dynamic processes and the role of intermediate high-lying triplet (T) states are still not fully comprehended. In this context, we propose a comprehensive model to describe the spin-flip processes applicable for a typical CT-type molecule, revealing the origin of the high-lying T state in a partial molecular framework in CT-type molecules. This work provides experimental and theoretical insights into the understanding of intersystem crossing for CT-type molecules, facilitating more precise control over spin-flip rates and thus advancing toward developing the next-generation platform for purely organic luminescent candidates.
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