Spatially optimized quaternary phosphine oxide host materials for high-efficiency blue phosphorescence and thermally activated delayed fluorescence organic light-emitting diodes

2015 ◽  
Vol 3 (43) ◽  
pp. 11385-11396 ◽  
Author(s):  
Dongxue Ding ◽  
Zhen Zhang ◽  
Ying Wei ◽  
Pengfei Yan ◽  
Hui Xu
Keyword(s):  
Phosphine Oxide ◽  
High Efficiency ◽  
Light Emitting Diodes ◽  
Spatial Optimization ◽  
Delayed Fluorescence ◽  
Organic Light Emitting Diodes ◽  
Light Emitting ◽  
Thermally Activated ◽  
Organic Light ◽  
Host Materials

Spatial optimization of host materials for highly efficient blue organic light-emitting diodes was rationally performed on the basis of a series of ternary and quaternary phosphine oxide materials.

Noble Dibenzothiophene-Based Bipolar Hosts for Blue Organic Light-Emitting Diodes Using Thermally Activated Delayed Fluorescence

2020 ◽  
Vol 20 (11) ◽  
pp. 7191-7195
Author(s):  
JaMin Lee ◽  
Sae Won Lee ◽  
Young Sik Kim
Keyword(s):  
Dft Calculations ◽  
Light Emitting Diodes ◽  
Delayed Fluorescence ◽  
Organic Light Emitting Diodes ◽  
Thermally Activated Delayed Fluorescence ◽  
Light Emitting ◽  
Thermally Activated ◽  
Organic Light ◽  
Host Materials ◽  
Td Dft

Novel thermally activated delayed fluorescence (TADF) host materials for blue electrophosphores-cence were designed by combining the electron acceptor dibenzothiophene (DBT) unit and the electron donor acridine derivatives into a single molecular unit by density functional theory (DFT). Depending on the optimal charge transfer, DFT and time-dependent DFT (TD-DFT) calculations for the ground state were performed to obtain the energy of the singlet (S1) and triplet (T1) excited states of the TADF material for Hartree-Fock percentage of TD-DFT. The sufficiently large separation between the HOMO and LUMO resulted in a small difference in energy (ΔEST) between the S1 and T1 states using DFT and TD-DFT calculations. The host molecules retained high triplet energy and showed great potential for use in blue organic light-emitting diodes (OLED). The results showed that these molecules are a good TADF host materials because they have a low barrier to hole and electron injection with a balanced charge transporting property for both holes and electrons, and a small ΔEST.

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