Applications of quantum computing for investigations of electronic transitions in phenylsulfonyl-carbazole TADF emitters

Applications of quantum computing for investigations of electronic transitions in phenylsulfonyl-carbazole TADF emitters

Abstract A quantum chemistry study of the first singlet (S 1) and triplet (T 1) excited states of phenylsulfonyl-carbazole compounds, proposed as useful thermally activated delayed fluorescence (TADF) emitters for organic light emitting diode (OLED) applications, was performed with the quantum Equat...

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Bibliographic Details
Main Authors: Qi Gao, Gavin O. Jones, Mario Motta, Michihiko Sugawara, Hiroshi C. Watanabe, Takao Kobayashi, Eriko Watanabe, Yu-ya Ohnishi, Hajime Nakamura, Naoki Yamamoto
Format: Article
Language:English
Published: Nature Portfolio 2021-05-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-021-00540-6

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https://doi.org/10.1038/s41524-021-00540-6

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