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Investigation of Boron-Doped Graphdiyne as a Promising Anode Material for Sodium-Ion Batteries: A Computational Study

[Image: see text] In this work, by density functional theory (DFT) calculations, sp–sp(2)-hybridized boron-doped graphdiyne (BGDY) nanosheets have been investigated as an anode material for sodium storage. The density of states (DOS) and band structure plots show that substituting a boron atom with...

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Detalles Bibliográficos
Autores principales: Gharehzadeh Shirazi, Sobira, Nasrollahpour, Mokhtar, Vafaee, Mohsen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7203954/
https://www.ncbi.nlm.nih.gov/pubmed/32391491
http://dx.doi.org/10.1021/acsomega.0c00422