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Microscopic Properties of Na and Li—A First Principle Study of Metal Battery Anode Materials

Using density functional theory, we studied the bulk and surface properties of Li and Na electrodes on an atomistic level. To get a better understanding of the initial stages of surface growth phenomena (and thus dendrite formation), various self‐diffusion mechanisms were studied. For this purpose,...

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Detalhes bibliográficos
Publicado no:ChemSusChem
Main Authors: Gaissmaier, Daniel, van den Borg, Matthias, Fantauzzi, Donato, Jacob, Timo
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2020
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Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7065241/
https://ncbi.nlm.nih.gov/pubmed/31804761
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cssc.201902860
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