Enhancing fluorescence and lowering the optical gap through CP doping of a π-conjugated molecular backbone: A computational-based design approach

Design principles of organic fluorescent materials are investigated at the molecular level using a first-principles-based computational approach. The design approach incorporates hetero atoms into a conjugated cyclic skeleton by introducing CP bonds. In particular we report the design of a molecula...

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Autores principales: Sunandan Sarkar, Pandiselvi Durairaj, John D. Protasiewicz, Barry D. Dunietz
Formato: article
Lenguaje:EN
Publicado: Elsevier 2021
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Acceso en línea:https://doaj.org/article/e34ba74aa6654620ae0dcd0f20f93ca4
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