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:
URI: https://livrepository.liverpool.ac.uk/id/eprint/3118023