Quantum simulations of thermally activated delayed fluorescence in an all-organic emitter-Reference-Cited by-同舟云学术

Quantum simulations of thermally activated delayed fluorescence in an all-organic emitter

Published:2022 Issue:17 Volume:24 Page:10101-10113
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Francese Tommaso¹^ORCID,Kundu Arpan¹^ORCID,Gygi Francois²,Galli Giulia¹³⁴

Affiliation:

1. Pritzker School of Molecular Engineering, University of Chicago, Chicago, IL 60637, USA

2. Department of Computer Science, University of California, Davis, CA 95616, USA

3. Materials Science Division and Center for Molecular Engineering, Argonne National Laboratory, Lemont, IL 60439, USA

4. Department of Chemistry, University of Chicago, Chicago, IL 60637, USA

Abstract

The prototypical NAI-DMAC TADF emitter is investigated in the gas phase- and high-packing fraction limits at finite temperature, by combining first principles molecular dynamics with a quantum thermostat to account for nuclear quantum effects (NQE).

Funder

Office of Naval Research

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP01147F

Reference100 articles.

1. A Brief History of OLEDs—Emitter Development and Industry Milestones

2. Highly efficient organic light-emitting diodes from delayed fluorescence

3. Photophysics of thermally activated delayed fluorescence molecules

4. Diboron compound-based organic light-emitting diodes with high efficiency and reduced efficiency roll-off

5. Sky-Blue Organic Light Emitting Diode with 37% External Quantum Efficiency Using Thermally Activated Delayed Fluorescence from Spiroacridine-Triazine Hybrid

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