Li-Ion Adsorption and Diffusion on Two-Dimensional Silicon with Defects: A First Principles Study

Using first principles calculations we investigate the binding and diffusion of Li on silicene and evaluate the prospects for application to Li-ion batteries. We find that the defect formation energy for silicene is half that of graphene, showing that silicene is more likely to contain defects. The...

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Veröffentlicht in:ACS applied materials & interfaces 2013-11, Vol.5 (21), p.10690-10695
Hauptverfasser: Setiadi, Jeffry, Arnold, Matthew D, Ford, Michael J
Format: Artikel
Sprache:eng
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