Prediction of Intramolecular Charge-Transfer Excitation for Thermally Activated Delayed Fluorescence Molecules from a Descriptor-Tuned Density Functional

2018 ◽  
Vol 122 (14) ◽  
pp. 7816-7823 ◽  
Author(s):  
Chao Wang ◽  
Chao Deng ◽  
Dan Wang ◽  
Qisheng Zhang
Keyword(s):  
Charge Transfer ◽  
Density Functional ◽  
Intramolecular Charge Transfer ◽  
Delayed Fluorescence ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Charge Transfer Excitation

scholarly journals Solution-Processed OLEDs Based on Thermally Activated Delayed Fluorescence Copper(I) Complexes with Intraligand Charge-Transfer Excited State

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 1125
Author(s):  
Teng Teng ◽  
Jinfan Xiong ◽  
Gang Cheng ◽  
Changjiang Zhou ◽  
Xialei Lv ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Density Functional ◽  
Delayed Fluorescence ◽  
Quantum Yields ◽  
Functional Theory ◽  
Solution Processed ◽  
Thermally Activated Delayed Fluorescence ◽  
Light Emitting ◽  
Thermally Activated ◽  
Wide Range

A new series of tetrahedral heteroleptic copper(I) complexes exhibiting efficient thermally-activated delayed fluorescence (TADF) in green to orange electromagnetic spectral regions has been developed by using D-A type N^N ligand and P^P ligands. Their structures, electrochemical, photophysical, and electroluminescence properties have been characterized. The complexes exhibit high photoluminescence quantum yields (PLQYs) of up to 0.71 at room temperature in doped film and the lifetimes are in a wide range of 4.3–24.1 μs. Density functional theory (DFT) calculations on the complexes reveal the lowest-lying intraligand charge-transfer excited states that are localized on the N^N ligands. Solution-processed organic light emitting diodes (OLEDs) based on one of the new emitters show a maximum external quantum efficiency (EQE) of 7.96%.

A red thermally activated delayed fluorescence emitter employing dipyridophenazine with a gradient multi-inductive effect to improve radiation efficiency

2019 ◽  
Vol 7 (25) ◽  
pp. 7525-7530 ◽  
Author(s):  
Huiqin Wang ◽  
Bingjie Zhao ◽  
Peng Ma ◽  
Zhe Li ◽  
Xinyu Wang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Inductive Effect ◽  
Intramolecular Charge Transfer ◽  
Radiative Transition ◽  
Delayed Fluorescence ◽  
Radiation Efficiency ◽  
Quantum Yields ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Electro Luminescence

Red TADF emitter oTPA-DPPZ employs dipyridophenazine with gradient multi-inductive effect as acceptor, which enhances intramolecular charge transfer and radiative transition, resulting photo- and electro-luminescence quantum yields of 75% and 18.5%.

Modulation of OLED Efficiency via a Combination of Aromatic Electrophilic Directing and Intramolecular Charge Transfer

2021 ◽  
Author(s):  
Xiancheng Nie ◽  
Tao Wang ◽  
Wenhuan Huang ◽  
Hao Su ◽  
Biao Chen ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Organic Compounds ◽  
Intramolecular Charge Transfer ◽  
Light Emitting Diode ◽  
Delayed Fluorescence ◽  
Thermally Activated Delayed Fluorescence ◽  
Light Emitting ◽  
Organic Light Emitting Diode ◽  
Thermally Activated ◽  
Organic Light

Thermally activated delayed fluorescence (TADF) materials utilizing purely organic compounds have become a promising and more eco-friendly alternative to phosphorescent organometallic emitters in organic light-emitting diode (OLED) devices. However, the...

scholarly journals Axial and helical thermally activated delayed fluorescence bicarbazole emitters: Opposite modulation of circularly polarized luminescence through intramolecular charge-transfer dynamics

2021 ◽  
Author(s):  
Patthira Sumsalee ◽  
Laura Abella ◽  
Thierry Roisnel ◽  
Sabrina Lebrequier ◽  
Gregory Pieters ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Delayed Fluorescence ◽  
Thermally Activated Delayed Fluorescence ◽  
Circularly Polarized ◽  
Thermally Activated ◽  
High Interest ◽  
Circularly Polarized Luminescence ◽  
Polarized Luminescence ◽  
Charge Transfer Dynamics

The rationalization of the molecular parameters that influences the intensity and sign of circularly polarized luminescence (CPL) for chiral emitters is a challenging task and remains of high interest for...

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