Frontier molecular orbital engineering: Constructing highly efficient narrowband organic electroluminescent materials

Y Xu, Q Wang, X Cai, C Li, S Jiang… - Angewandte …, 2023 - Wiley Online Library
It is of great strategic significance to develop highly efficient narrowband organic
electroluminescent materials that can be utilized to manufacture ultra‐high‐definition (UHD) …

Precise Functionalization of a Multiple‐Resonance Framework: Constructing Narrowband Organic Electroluminescent Materials with External Quantum Efficiency over …

Q Wang, Y Xu, T Yang, J Xue, Y Wang - Advanced Materials, 2023 - Wiley Online Library
It is of important strategic significance to develop high‐efficiency narrowband organic
electroluminescent materials that can be employed to fabricate ultrahigh‐definition displays …

Narrowband emission: organic thermally-activated delayed fluorescence materials and underlying mechanisms

C Lv, X Wang, Q Zhang, Y Zhang - Materials Chemistry Frontiers, 2023 - pubs.rsc.org
Organic narrowband emitters inherit the advantages of conventional emitters while
combining the characteristics of narrowband emission and high luminous efficiency, which …

Precise regulation of emission maxima and construction of highly efficient electroluminescent materials with high color purity

Q Wang, Y Xu, T Huang, Y Qu, J Xue… - Angewandte Chemie …, 2023 - Wiley Online Library
Advanced multiple resonance induced thermally activated delayed fluorescence (MR‐
TADF) emitters have emerged as a privileged motif for applications in organic light‐emitting …

Highly efficient pure-blue organic light-emitting diodes based on rationally designed heterocyclic phenophosphazinine-containing emitters

L Xing, J Wang, WC Chen, B Liu, G Chen… - Nature …, 2024 - nature.com
Multi-resonance thermally activated delayed fluorophores have been actively studied for
high-resolution photonic applications due to their exceptional color purity. However, these …

Highly Efficient Multi‐Resonance Thermally Activated Delayed Fluorescence Material with a Narrow Full Width at Half‐Maximum of 0.14 eV

F Liu, Z Cheng, L Wan, Z Feng, H Liu, H Jin, L Gao… - Small, 2022 - Wiley Online Library
Multi‐resonance thermally activated delayed fluorescence (MR‐TADF) material, which
possesses the ability to achieve narrowband emission in organic light‐emitting diodes …

Energy component analysis for electronically excited states of molecules: why the lowest excited state is not always the HOMO/LUMO transition

P Kimber, F Plasser - Journal of Chemical Theory and …, 2023 - ACS Publications
The ability to tune excited-state energies is crucial to many areas of molecular design. In
many cases, this is done based on the energies of the highest occupied molecular orbital …

Achieving highly efficient narrowband sky-blue electroluminescence with alleviated efficiency roll-off by molecular-structure regulation and device-configuration …

X Yan, Z Li, Q Wang, Y Qu, Y Xu… - Journal of Materials …, 2022 - pubs.rsc.org
Multiple resonance effect induced thermally activated delayed fluorescence (MR-TADF)
materials that can exhibit high luminous efficiency and color purity have aroused …

libwfa: Wavefunction analysis tools for excited and open‐shell electronic states

F Plasser, AI Krylov, A Dreuw - Wiley Interdisciplinary Reviews …, 2022 - Wiley Online Library
An open‐source software library for wavefunction analysis, libwfa, provides a
comprehensive and flexible toolbox for post‐processing excited‐state calculations, featuring …

PCM-ROKS for the Description of Charge-Transfer States in Solution: Singlet–Triplet Gaps with Chemical Accuracy from Open-Shell Kohn–Sham Reaction-Field …

L Kunze, A Hansen, S Grimme… - The Journal of Physical …, 2021 - ACS Publications
The adiabatic energy gap between the lowest singlet and triplet excited states Δ E ST is a
central property of thermally activated delayed fluorescence (TADF) emitters. Since these …