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

23 Citations (Scopus)

Abstract

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
Volume146
Issue number4
DOIs
Publication statusPublished - Apr 1 1999
Externally publishedYes

Fingerprint

Amorphous carbon
Molecular orbitals
Lithium
Carbon
lithium
carbon
electric batteries
molecular orbitals
interactions
ions
Lithium-ion batteries

All Science Journal Classification (ASJC) codes

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

Cite this

Ab initio study on interaction and stability of lithium-doped amorphous carbons. / Ago, Hiroki; Kato, Motoki; Yahara, Kazuyuki; Yoshizawa, Kazunari; Tanaka, Kazuyoshi; Yamabe, Tokio.

In: Journal of the Electrochemical Society, Vol. 146, No. 4, 01.04.1999, p. 1262-1269.

Research output: Contribution to journalArticle

Ago, Hiroki ; Kato, Motoki ; Yahara, Kazuyuki ; Yoshizawa, Kazunari ; Tanaka, Kazuyoshi ; Yamabe, Tokio. / Ab initio study on interaction and stability of lithium-doped amorphous carbons. In: Journal of the Electrochemical Society. 1999 ; Vol. 146, No. 4. pp. 1262-1269.
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