Benchmarking Charge-Transfer Excited States in TADF Emitters: ΔDFT Outperforms TD-DFT for Emission Energies-Reference-Cited by-同舟云学术

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Benchmarking Charge-Transfer Excited States in TADF Emitters: ΔDFT Outperforms TD-DFT for Emission Energies

Published:2024-07-19 Issue:30 Volume:128 Page:6324-6335
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Froitzheim Thomas¹^ORCID,Kunze Lukas¹^ORCID,Grimme Stefan¹^ORCID,Herbert John M.²^ORCID,Mewes Jan-Michael¹³^ORCID

Affiliation:

1. Mulliken Center for Theoretical Chemistry, University of Bonn, Beringstr. 4, 53115 Bonn, Germany

2. Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210, United States

3. beeOLED GmbH, Niedersedlitzer Str. 75 C, 01257 Dresden, Germany

Funder

Division of Chemistry

Deutsche Forschungsgemeinschaft

Fonds der Chemischen Industrie

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c03273

Reference114 articles.

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

2. Efficient blue organic light-emitting diodes employing thermally activated delayed fluorescence

3. Photophysics of thermally activated delayed fluorescence molecules

4. Recent advances in organic thermally activated delayed fluorescence materials

5. Purely Organic Thermally Activated Delayed Fluorescence Materials for Organic Light-Emitting Diodes

Cited by 1 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. ΔDFT Predicts Inverted Singlet–Triplet Gaps with Chemical Accuracy at a Fraction of the Cost of Wave Function-Based Approaches;The Journal of Physical Chemistry Letters;2024-07-31

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