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

Zhao, Ke, Omar, Ömer H ORCID: 0000-0002-5073-4999, Nematiaram, Tahereh, Padula, Daniele and Troisi, Alessandro ORCID: 0000-0002-5447-5648 (2021) Novel thermally activated delayed fluorescence materials by high-throughput virtual screening: going beyond donor–acceptor design. Journal of Materials Chemistry C, 9 (9). pp. 3324-3333. ISSN 2050-7526, 2050-7534

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Abstract

<p>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.</p>

Item Type:	Article
Uncontrolled Keywords:	3403 Macromolecular and Materials Chemistry, 34 Chemical Sciences, 3406 Physical Chemistry, 3407 Theoretical and Computational Chemistry
Divisions:	Faculty of Science and Engineering > School of Physical Sciences
Depositing User:	Symplectic Admin
Date Deposited:	23 Mar 2021 08:24
Last Modified:	14 Mar 2025 09:31
DOI:	10.1039/d1tc00002k
Related Websites:	Author Publisher
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3118023