Lowest unoccupied molecular orbital managing function of CN-substituted dibenzofuran in high triplet energy hosts for blue thermally-activated delayed fluorescent organic light-emitting diodes

2021 ◽  
Author(s):  
Sung Yong Byun ◽  
Kyung Hyung Lee ◽  
Jun Yeob Lee
Keyword(s):  
Molecular Orbital ◽  
Light Emitting Diodes ◽  
Delayed Fluorescence ◽  
Organic Light Emitting Diodes ◽  
Triplet Energy ◽  
Thermally Activated Delayed Fluorescence ◽  
Light Emitting ◽  
Thermally Activated ◽  
Organic Light ◽  
Lowest Unoccupied Molecular Orbital

The effect of lowest unoccupied molecular orbital (LUMO) management of high triplet energy electron transport type hosts on the device performance of blue thermally-activated delayed fluorescence (TADF) organic light-emitting diodes...

scholarly journals Recent advances on organic blue thermally activated delayed fluorescence (TADF) emitters for organic light-emitting diodes (OLEDs)

2018 ◽  
Vol 14 ◽  
pp. 282-308 ◽  
Author(s):  
Thanh-Tuân Bui ◽  
Fabrice Goubard ◽  
Malika Ibrahim-Ouali ◽  
Didier Gigmes ◽  
Frédéric Dumur
Keyword(s):  
Molecular Orbital ◽  
Light Emitting Diodes ◽  
Molecular Design ◽  
Delayed Fluorescence ◽  
Organic Light Emitting Diodes ◽  
Thermally Activated Delayed Fluorescence ◽  
Light Emitting ◽  
Thermally Activated ◽  
Organic Light ◽  
Recent Advances

The design of highly emissive and stable blue emitters for organic light emitting diodes (OLEDs) is still a challenge, justifying the intense research activity of the scientific community in this field. Recently, a great deal of interest has been devoted to the elaboration of emitters exhibiting a thermally activated delayed fluorescence (TADF). By a specific molecular design consisting into a minimal overlap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) due to a spatial separation of the electron-donating and the electron-releasing parts, luminescent materials exhibiting small S1–T1 energy splitting could be obtained, enabling to thermally upconvert the electrons from the triplet to the singlet excited states by reverse intersystem crossing (RISC). By harvesting both singlet and triplet excitons for light emission, OLEDs competing and sometimes overcoming the performance of phosphorescence-based OLEDs could be fabricated, justifying the interest for this new family of materials massively popularized by Chihaya Adachi since 2012. In this review, we proposed to focus on the recent advances in the molecular design of blue TADF emitters for OLEDs during the last few years.

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

2020 ◽  
Vol 20 (11) ◽  
pp. 7196-7200
Author(s):  
Ja Min Lee ◽  
Sae Won Lee ◽  
Young Sik Kim
Keyword(s):  
Dft Calculations ◽  
Molecular Orbital ◽  
Light Emitting Diodes ◽  
Delayed Fluorescence ◽  
Organic Light Emitting Diodes ◽  
Thermally Activated Delayed Fluorescence ◽  
Light Emitting ◽  
Thermally Activated ◽  
Organic Light ◽  
Td Dft

We designed a novel thermally activated delayed fluorescence (TADF) host molecules for blue elec-trophosphorescence by combining the electron acceptor benzimidazole (BI) unit and the electron donor acridine derivatives into a single molecular unit based on density functional theory (DFT). We obtained the energies of the first singlet (S1) and the first triplet (T1) excited states of the TADF materials by performing DFT and time-dependent DFT (TD-DFT) calculations on the ground state using dependence on charge transfer amounts for the optimal Hartree–Fock percentage in the exchange-correlation of TD-DFT. The DFT and TD-DFT calculations showed that the large separation between the highest occupied molecular orbital and the lowest unoccupied molecular orbital caused a small difference in energy (ΔEST) between the S1 and T1 states. The host molecules retained a high triplet energy and demonstrated a great potential for use in blue phosphorescent organic light-emitting diodes. The results showed that these molecules are promising host materials for TADF OLEDs because they have a low barrier to hole and electron injection, a balanced charge transport for both holes and electrons, and a small ΔEST.

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