Cluster assembled silicon-lithium nanostructures: a nanowire con fi ned inside a carbon nanotube

HIGHLIGHTS

• who: Cluster Assembled Silicon-Lithium et al. from the Departamento de Ciencias Físicas, Universidad Andres Bello, Laboratorio de Química Teórica, Facultad de University of Gdansk, Poland have published the research: Cluster Assembled Silicon-Lithium Nanostructures: A Nanowire Con fi ned Inside a Carbon Nanotube, in the Journal: (JOURNAL)
• what: Using periodic DFT calculations and Born-Oppenheimer ab initio molecular dynamic simulations, we have shown that Li6Si5 units can be stacked one above the other, forming a one-dimensional structure linked together by Coulomb interactions.

SUMMARY

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