A DFT study on nanocones, nanotubes (4,0), nanosheets and fullerene C(60) as anodes in Mg-ion batteries

In this article, we studied the interactions between Mg atom and Mg(2+) ion and four nanostructures, including a nanocone, nanotube (4,0), nanosheet, and C(60) nanocage, to obtain the cell voltages (V) for Mg-ion batteries (MIBs). Total energy, geometry optimization, frontier molecular orbital (FMO)...

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Detalles Bibliográficos
Autores principales: Vessally, Esmail, Alkorta, Ibon, Ahmadi, Sheida, Mohammadi, Robab, Hosseinian, Akram
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9059540/
https://www.ncbi.nlm.nih.gov/pubmed/35517631
http://dx.doi.org/10.1039/c8ra06031b

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9059540/
https://www.ncbi.nlm.nih.gov/pubmed/35517631
http://dx.doi.org/10.1039/c8ra06031b

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