Bonding Nature of LiCoO₂ by Topological Analysis of Electron Density from X-ray Diffraction (Innovative Battery Development) Bonding Nature of LiCoO<sub>2</sub> by Topological Analysis of Electron Density from X-ray Diffraction

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Author(s)

Abstract

Electron density distributions of LiCoO<sub>2</sub> have been determined by Maximum Entropy method (MEM) and multipole modeling from synchrotron x-ray powder diffraction data. The localization of Co-3<i>d</i> 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.

Journal

  • Electrochemistry

    Electrochemistry 83(10), 840-842, 2015

    The Electrochemical Society of Japan

Codes

  • NII Article ID (NAID)
    130005100783
  • NII NACSIS-CAT ID (NCID)
    AN00151637
  • Text Lang
    ENG
  • Article Type
    journal article
  • ISSN
    1344-3542
  • NDL Article ID
    026770131
  • NDL Call No.
    Z17-14
  • Data Source
    NDL  IR  J-STAGE 
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