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Lithium intercalation into single-wall carbon nanotube bundles

✍ Scribed by Solange B. Fagan; S. Guerini; J. Mendes Filho; V. Lemos

Publisher: Elsevier Science
Year: 2005
Tongue: English
Weight: 188 KB
Volume: 36
Category: Article
ISSN: 0026-2692
DOI: 10.1016/j.mejo.2005.02.059

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✦ Synopsis

The insertion of lithium atoms in the channels of the single-wall carbon nanotube (SWNT) bundles is investigated using an ab initio calculation. The relaxed structure as well as the electronic band structure were obtained. Results reveals that Li insertion modifies the band structure by shifting the Fermi level to a higher density of states region, and this shift scales with the rate of insertion. The Li/SWNT band structure allows to predict strongly modified electronic properties.

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