Fast and Accurate Determination of the Singlet–Triplet Gap in Donor–Acceptor and Multiresonance TADF Molecules by Using Hole–Hole Tamm–Dancoff Approximated Density Functional Theory-Reference-Cited by-同舟云学术

Fast and Accurate Determination of the Singlet–Triplet Gap in Donor–Acceptor and Multiresonance TADF Molecules by Using Hole–Hole Tamm–Dancoff Approximated Density Functional Theory

Published:2022-06 Issue:8 Volume:5 Page:2200056
ISSN:2513-0390
Container-title:Advanced Theory and Simulations
language:en
Short-container-title:Advcd Theory and Sims

Author:

Woon Kai‐Lin¹²^ORCID,Nikishau Pavel A.³,Sini Gjergji¹⁴

Affiliation:

1. Institute of Advanced Studies CY Cergy Paris Université 33 Bd du Port Cergy‐Pontoise 95000 France

2. Low Dimensional Materials, Department of Physics University of Malaya Kuala Lumpur 50603 Malaysia

3. Research Institute for Physical Chemical Problems of the Belarusian State University 14 Leningradskaya st. Minsk 220006 Belarus

4. Laboratoire de Physico‐Chimie des Polymères et des Interfaces (LPPI) CY Cergy Paris Université 33 Bd du Port Cergy‐Pontoise 95000 France

Funder

Universiti Malaya

H2020 Marie Skłodowska-Curie Actions

Publisher

Wiley

Subject

Multidisciplinary,Modeling and Simulation,Numerical Analysis,Statistics and Probability

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/adts.202200056

Reference71 articles.

1. Revealing the spin–vibronic coupling mechanism of thermally activated delayed fluorescence

2. The Importance of Vibronic Coupling for Efficient Reverse Intersystem Crossing in Thermally Activated Delayed Fluorescence Molecules

3. Thermally Activated Delayed Fluorescence Materials: Towards Realization of High Efficiency through Strategic Small Molecular Design

4. Tuning of HOMO-LUMO localization for achieving thermally activated delayed fluorescence

5. Charge Transfer as the Key Parameter Affecting the Color Purity of Thermally Activated Delayed Fluorescence Emitters

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Conformational isomerization imparts low concentration dependence to multiple resonance thermally activated delayed fluorescence (MR-TADF) emitters;Chemical Engineering Journal;2024-01

2. Is a small singlet–triplet energy gap a guarantee of TADF performance in MR-TADF compounds? Impact of the triplet manifold energy splitting;Journal of Materials Chemistry C;2024

3. A Series of Singlet‐Triplet InVerted TADF Fluorescent Probes with High Stability, Low Molecular Weight, and Synthesis Accessibility;Advanced Theory and Simulations;2023-03-02