Novel thermally activated delayed fluorescence materials by high-throughput virtual screening: going beyond donor–acceptor design
- 4 February 2021
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of Materials Chemistry C
- Vol. 9 (9), 3324-3333
- https://doi.org/10.1039/d1tc00002k
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.Keywords
Funding Information
- Engineering and Physical Sciences Research Council
- European Research Council (862102)
- Natural Science Foundation of Shandong Province (ZR2020MA078)
- Ministero dell’Istruzione, dell’Università e della Ricerca
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