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Quest and designing of organic molecular frameworks for efficient hole transport materials

Azaborine derivatives were investigated as hole-transporting materials (HTMs) by employing density functional theory (DFT) calculations. Marcus theory and Einstein relationship have also been used to investigate different properties of HTMs. We have also performed time-dependant density functional t...

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Главные авторы: Priya Singh, Aditya Kumar, Ajeet Singh
Формат: Artigo
Язык:Inglês
Опубликовано: Elsevier 2025-04-01
Серии:Chemistry of Inorganic Materials
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Online-ссылка:http://www.sciencedirect.com/science/article/pii/S2949746925000023
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