Bonding nature of licoo2 by topological analysis of electron density from x-ray diffraction

Eiji Nishibori*, Takayuki Shibata, Wataru Kobayashi, Yutaka Moritomo

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)


Electron density distributions of LiCoO2 have been determined by Maximum Entropy method (MEM) and multipole modeling from synchrotron x-ray powder diffraction data. The localization of Co-3d electrons was clearly visualized in the deformation MEM density. An electron density by multipole modeling was investigated by the Bader's topological analysis to reveal bonding characteristics and interactions between the constituted atoms.

Original languageEnglish
Pages (from-to)840-842
Number of pages3
Issue number10
Publication statusPublished - 2015
Externally publishedYes


  • Electron Density
  • Quantitative Evaluation of Bonding Nature
  • Synchrotron Radiation X-ray Diffraction
  • Topological Analysis

ASJC Scopus subject areas

  • Electrochemistry


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