Theoretical insights on the electroluminescent mechanism of thermally activated delayed fluorescence emitters

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• 作者：Lili Lin ; Zhongjie Wang ; ^{wangzhongjie1983@163.com} ; Jianzhong Fan ; Chuankui Wang ; ^{ckwang@sdnu.edu.cn}
• 关键词：First-principles ; Dynamics of excited states ; Reverse intersystem crossing ; Thermally activated delayed fluorescence
• 刊名：Organic Electronics
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：41
• 期：Complete
• 页码：17-25
• 全文大小：2035 K
• 卷排序：41

文摘

The S1 states for TADF molecules have both CT and LE character. There are two stable geometric structures for 4CzIPN molecule. A “hybrid” method is proposed to study the excited states of D-A type molecules. Phenomenological rate equations are used to describe the dynamics of excitons.