Theoretical studies on the excited-state properties of thermally activated delayed fluorescence molecules with aggregation induced emission

Abstract

Recently, thermally activated delayed fluorescence (TADF) molecules with aggregation induced emission (AIE) features have attracted much attention. However, the relationships between basic molecular structures and photophysical properties are unclear and...

Regulating through space charge transfer in thermally activated delayed fluorescence moleculesviadonor architectures: theoretical perspective and molecular design

“…This may be caused by the non-consideration of the surrounding environment effect in real situations, and the non-radiative decay could change dramatically according to our previous calculations, bringing the aggregation induced quenching (ACQ) and aggregation induced emission (AIE) features. 66–68…”

“…This may be caused by the non-consideration of the surrounding environment effect in real situations, and the nonradiative decay could change dramatically according to our previous calculations, bringing the aggregation induced quenching (ACQ) and aggregation induced emission (AIE) features. [66][67][68] To better explain the non-radiative consumption process, two effective parameters: Huang-Rhys (HR) factor and reorganization energy are calculated based on the following equations:…”

Combining molecular encapsulation and an AIE strategy to construct an efficient blue TADF polymer for solution-processed multilayer white OLEDs

“…Similar enhancement was also achieved in P-4CzCN with a water fraction above 40%. Such a clear AIE effect of the two polymers indicates that the formed aggregate can restrict intramolecular motion and thus block the nonradiative decay channel, [49][50][51][52] which can facilitate the high electroluminescence efficiency of the solid film. Even though both polymers possess the AIE property, the photoluminescence quantum yields (PLQY) in the neat films are still different.…”

From aggregation-caused quenching to aggregation-induced delayed fluorescence: the impact of the effect of substituents

“…All of these equations can be found in reports of research by Peng et al, Fan and co-workers and Shuai and co-workers. [30][31][32] The root mean squared displacement (RMSD) is used to measure the geometry changes between two different electronic states. The RMSD constant can be evaluated by:…”