Ab initio study on interaction and stability of lithium-doped amorphous carbons

Hiroki Ago, Motoki Kato, Kazuyuki Yahara, Kazunari Yoshizawa, Kazuyoshi Tanaka, Tokio Yamabe

Research output: Contribution to journalArticle

24 Citations (Scopus)


In order to further understand the Li storage mechanism of amorphous carbon materials used in Li-ion batteries, the interaction and relative stability of Li-doped aromatic carbon complexes were studied using ab initio molecular orbital method. The results show that the ionicity of Li decreases with increasing Li amount. This indicates the possibility of a mixture of Li...C and Li...Li covalent character in the higher Li-doped state.

Original languageEnglish
Pages (from-to)1262-1269
Number of pages8
JournalJournal of the Electrochemical Society
Issue number4
Publication statusPublished - Apr 1 1999
Externally publishedYes


All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Renewable Energy, Sustainability and the Environment
  • Surfaces, Coatings and Films
  • Electrochemistry
  • Materials Chemistry

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