Theoretical insights on the luminescent mechanism of an efficient aggregation‐induced nondoped delayed fluorescence emitter using QM / MM method

2020 ◽  
Author(s):  
Hao Sun ◽  
Xiu Yin ◽  
Zhi‐Peng Liu ◽  
Shu‐Li Wei ◽  
Jian‐Zhong Fan ◽  
...  
Keyword(s):  
Delayed Fluorescence ◽  
Luminescent Mechanism

Theoretical perspective for luminescent mechanism of thermally activated delayed fluorescence emitter with excited-state intramolecular proton transfer

2020 ◽  
Vol 8 (1) ◽  
pp. 98-108 ◽  
Author(s):  
Guanyu Jiang ◽  
Feiyan Li ◽  
Jianzhong Fan ◽  
Yuzhi Song ◽  
Chuan-Kui Wang ◽  
...  
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Solid Phase ◽  
Theoretical Perspective ◽  
Intramolecular Proton Transfer ◽  
Delayed Fluorescence ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Luminescent Mechanism

Excited-state intramolecular proton transfer (ESIPT) and thermally activated delayed fluorescence (TADF) mechanisms in solid phase is revealed theoretically.

Theoretical perspective for luminescent mechanism of hybridized local and charge transfer state emitter with aggregation induced emission: QM/MM study

CrystEngComm ◽  
2021 ◽  
Author(s):  
yuanyuan xu ◽  
X.G. Gao ◽  
Jiancai Leng ◽  
Jianzhong Fan
Keyword(s):  
Charge Transfer ◽  
Theoretical Perspective ◽  
Delayed Fluorescence ◽  
Thermally Activated Delayed Fluorescence ◽  
Aggregation Induced Emission ◽  
Thermally Activated ◽  
Fluorescent Materials ◽  
Luminescent Mechanism ◽  
New Generation ◽  
Transfer State

Apart from the thermally activated delayed fluorescence (TADF) systems, new-generation fluorescent materials with aggregation induced emission (AIE) and hybridized local and charge transfer (HLCT) state features have shown promising applications...

Solvent Dependence of Structural Dynamics and Spin-flip Processes in 3,4,5-tri(9H-carbazole-9-yl)benzonitrile (ortho-3CzBN)

2020 ◽  
Author(s):  
Masaki Saigo ◽  
Kiyoshi Miyata ◽  
Hajime Nakanotani ◽  
Chihaya Adachi ◽  
Ken Onda
Keyword(s):  
Dft Calculations ◽  
Excited States ◽  
Structural Changes ◽  
Photophysical Properties ◽  
Delayed Fluorescence ◽  
Time Resolved ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Solvent Dependence ◽  
Acetonitrile Solutions

We have investigated the solvent-dependence of structural changes along with intersystem crossing of a thermally activated delayed fluorescence (TADF) molecule, 3,4,5-tri(9H-carbazole-9-yl)benzonitrile (o-3CzBN), in toluene, tetrahydrofuran, and acetonitrile solutions using time-resolved infrared (TR-IR) spectroscopy and DFT calculations. We found that the geometries of the S1 and T1 states are very similar in all solvents though the photophysical properties mostly depend on the solvent. In addition, the time-dependent DFT calculations based on these geometries suggested that the thermally activated delayed fluorescence process of o-3CzBN is governed more by the higher-lying excited states than by the structural changes in the excited states.<br>

scholarly journals Understanding delayed fluorescence and triplet decays of Protoporphyrin IX under hypoxic conditions

2021 ◽  
Author(s):  
Marek Scholz ◽  
Gauthier Croizat ◽  
Jakub Pšenčík ◽  
Roman Dědic ◽  
Santi Nonell ◽  
...  
Keyword(s):  
Protoporphyrin Ix ◽  
Delayed Fluorescence ◽  
Hypoxic Conditions

Sulfur Atom Manipulates Geometric Isomerism of Diphosphinine Oxides for Efficient Delayed Fluorescence Diodes

2021 ◽  
pp. 129912
Author(s):  
Fuxing Jiao ◽  
Chengming Zhang ◽  
Guang Lu ◽  
Yi Man ◽  
Chunbo Duan ◽  
...  
Keyword(s):  
Sulfur Atom ◽  
Delayed Fluorescence ◽  
Geometric Isomerism

New hole transport styrene polymers bearing highly π-extended conjugated side-chain moieties for high-performance solution-processable thermally activated delayed fluorescence OLEDs

2021 ◽  
Vol 12 (11) ◽  
pp. 1692-1699
Author(s):  
Ji Hye Lee ◽  
Jinhyo Hwang ◽  
Chai Won Kim ◽  
Amit Kumar Harit ◽  
Han Young Woo ◽  
...  
Keyword(s):  
High Performance ◽  
High Efficiency ◽  
Delayed Fluorescence ◽  
Hole Transport ◽  
Side Chain ◽  
Solution Processed ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
Turn On ◽  
Solution Processable

New polystyrene-based polymers with high π-extended hole transport pendants were synthesized to obtain a low turn-on voltage and high efficiency in solution-processed green TADF-OLEDs.

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