Computational Study of P, S and Se Analogues of Naphthalenediimide as Cathode Components in Batteries

Several computational studies have been published to predict the behaviour of naphthalenediimides (NDI) in the transport of electrons in batteries, as well as their physical properties. This communication compares NDI with their analogues resulting from replacing the nitrogen atom by phosphorus, sul...

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Bibliographic Details
Main Authors: M. Pilar Vázquez-Tato, Francisco Meijide, José Vázquez Tato, Julio A. Seijas
Format: Article
Language:English
Published: MDPI AG 2021-11-01
Series:Chemistry Proceedings
Subjects:
Online Access:https://www.mdpi.com/2673-4583/8/1/80