MXene/PPy nanocomposite as an electrode material for high-capacity Na-ion batteries investigated from first principle calculation

Mxene/Polypyrrole (Mxene/PPy) nanocomposite films are gaining importance for designing electrodes for energy storage applications. In this work, density functional theory (DFT) simulation is used to investigate the energy storage properties of PPy-based nanocomposite. The adsorption sites, adsorptio...

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Bibliographic Details
Main Authors: Anthony Chidi Ezika, Emmanuel Rotimi Sadiku, Suprakas Sinha Ray, Yskandar Hamam, Gbolahan Joseph Adekoya
Format: Article
Language:English
Published: Elsevier 2023-04-01
Series:South African Journal of Chemical Engineering
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S1026918523000203