Novel thermally activated delayed fluorescence materials by high-throughput virtual screening: going beyond donor

Novel thermally activated delayed fluorescence materials by high-throughput virtual screening: going beyond donor–acceptor design

Published:2021 Issue:9 Volume:9 Page:3324-3333
ISSN:2050-7526
Container-title:Journal of Materials Chemistry C
language:en
Short-container-title:J. Mater. Chem. C

Author:

Zhao Ke¹²³⁴^ORCID,Omar Ömer H.⁵⁶⁷⁸^ORCID,Nematiaram Tahereh⁵⁶⁷⁸^ORCID,Padula Daniele⁹¹⁰¹¹¹²¹³^ORCID,Troisi Alessandro⁵⁶⁷⁸^ORCID

Affiliation:

1. School of Physics and Electronics

2. Shandong Normal University

3. Jinan

4. China

5. Department of Chemistry and Materials Innovation Factory

6. University of Liverpool

7. Liverpool

8. UK

9. Dipartimento di Biotecnologie

10. Chimica e Farmacia

11. Università di Siena

12. Siena

13. Italy

Abstract

125 potential TADF candidates are identified through quantum chemistry calculations of 700 molecules derived from a database of 40 000 molecular semiconductors. Most of them are new and some do not belong to the class of donor–acceptor molecules.

Funder

Engineering and Physical Sciences Research Council

European Research Council

Natural Science Foundation of Shandong Province

Ministero dell’Istruzione, dell’Università e della Ricerca

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/TC/D1TC00002K

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