Structure-property relationship of phosphine oxide based thermally activated delayed fluorescence molecules: First-principles study

2018 ◽  
Vol 59 ◽  
pp. 7-14 ◽  
Author(s):  
Xiangpeng Kong ◽  
Lei Cai ◽  
Jianzhong Fan ◽  
Lili Lin
Keyword(s):  
Phosphine Oxide ◽  
First Principles ◽  
Delayed Fluorescence ◽  
Structure Property ◽  
Thermally Activated Delayed Fluorescence ◽  
Thermally Activated ◽  
First Principles Study ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Relationship Of

Structure-Property Relationship Study of Blue Thermally Activated Delayed Fluorescence Molecules with Different donor and position substitutions: Theoretical Perspective and Molecular Design

2021 ◽  
Author(s):  
Yuzhi Song ◽  
Bihe Li ◽  
Songsong Liu ◽  
Ming Qin ◽  
Yang Gao ◽  
...  
Keyword(s):  
Molecular Design ◽  
Theoretical Perspective ◽  
Delayed Fluorescence ◽  
Organic Light Emitting Diodes ◽  
Structure Property ◽  
Thermally Activated Delayed Fluorescence ◽  
Light Emitting ◽  
Thermally Activated ◽  
Structure Property Relationship ◽  
Display Resolution

Blue-efficient thermally activated delayed fluorescence emitters are widely desired in organic light emitting diodes due to their advantages in both improving display resolution and providing better pixels. However, both the...

scholarly journals D–A–D-type orange-light emitting thermally activated delayed fluorescence (TADF) materials based on a fluorenone unit: simulation, photoluminescence and electroluminescence studies

2018 ◽  
Vol 14 ◽  
pp. 672-681 ◽  
Author(s):  
Lin Gan ◽  
Xianglong Li ◽  
Xinyi Cai ◽  
Kunkun Liu ◽  
Wei Li ◽  
...  
Keyword(s):  
Internal Conversion ◽  
Delayed Fluorescence ◽  
Structure Property ◽  
Thermally Activated Delayed Fluorescence ◽  
Light Emitting ◽  
Thermally Activated ◽  
Structure Property Relationship ◽  
Fluorescent Materials ◽  
Donor Acceptor ◽  
Splitting Energy

The design of orange-light emitting, thermally activated, delayed fluorescence (TADF) materials is necessary and important for the development and application of organic light-emitting diodes (OLEDs). Herein, two donor–acceptor–donor (D–A–D)-type orange TADF materials based on fluorenone and acridine, namely 2,7-bis(9,9-dimethylacridin-10(9H)-yl)-9H-fluoren-9-one (27DACRFT, 1) and 3,6-bis(9,9-dimethylacridin-10(9H)-yl)-9H-fluoren-9-one (36DACRFT, 2), were successfully synthetized and characterized. The studies on their structure–property relationship show that the different configurations have a serious effect on the photoluminescence and electroluminescence performance according to the change in singlet–triplet splitting energy (ΔE ST) and excited state geometry. This indicates that a better configuration design can reduce internal conversion and improve triplet exciton utilization of TADF materials. Importantly, OLEDs based on 2 exhibited a maximum external quantum efficiency of 8.9%, which is higher than the theoretical efficiency of the OLEDs based on conventional fluorescent materials.

scholarly journals Stability, electronic structures and thermoelectric properties of binary Zn–Sb materials

2016 ◽  
Vol 4 (47) ◽  
pp. 11305-11312 ◽  
Author(s):  
Xin He ◽  
Yuhao Fu ◽  
David J. Singh ◽  
Lijun Zhang
Keyword(s):  
Thermoelectric Properties ◽  
First Principles ◽  
Electronic Structures ◽  
High Performance ◽  
First Principles Calculations ◽  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Composition Structure ◽  
Relationship Of

The composition–structure–property relationship of a complex high-performance thermoelectric system, Zn–Sb compounds, is systemically investigated by first-principles calculations.

Structure–property relationship of acceptor-substituted oligothiophenes

Tetrahedron ◽  
2010 ◽  
Vol 66 (45) ◽  
pp. 8729-8733 ◽  
Author(s):  
M.S. Wrackmeyer ◽  
M. Hummert ◽  
H. Hartmann ◽  
M.K. Riede ◽  
K. Leo
Keyword(s):  
Structure Property ◽  
Property Relationship ◽  
Structure Property Relationship ◽  
Relationship Of
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