Electronic states in heavily Li-doped graphite nanoclusters

M. Yagi, R. Saito, T. Kimura, G. Dresselhaus, M. S. Dresselhaus

研究成果: Article査読

13 被引用数 (Scopus)

抄録

Negative ion states for Li atoms are found in graphite nanoclusters heavily doped with lithium using a semiempirical calculational method. These calculations identify a quasi-stable site for a negative Li ion near the terminated hydrogen atoms, and this site becomes very stable in the presence of the Coulomb interaction between Li ions. The total charge transfer from Li ions to the graphite clusters does not depend on the number of Li atoms per cluster but rather on the relative geometries of the Li atoms on the cluster. The relationship of these findings to the findings in the 7Li nuclear magnetic resonance experiments and to the performance of Li secondary batteries is discussed.

本文言語English
ページ(範囲)3799-3804
ページ数6
ジャーナルJournal of Materials Research
14
9
DOI
出版ステータスPublished - 1999 9月
外部発表はい

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学
  • 材料力学
  • 機械工学

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