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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)...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| 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 |