High resolution x-ray absorption and emission spectroscopy of LixCoO2 single crystals as a function delithiation

L. Simonelli, E. Paris, C. Iwai, K. Miyoshi, J. Takeuchi, Takashi Mizokawa, N. L. Saini

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    3 Citations (Scopus)

    Abstract

    The effect of delithiation in LixCoO2 is studied by high resolution Co K-edge x-ray absorption and x-ray emission spectroscopy. Polarization dependence of the x-ray absorption spectra on single crystal samples is exploited to reveal information on the anisotropic electronic structure. We find that the electronic structure of LixCoO2 is significantly affected by delithiation in which the Co ions oxidation state tending to change from 3+ to 4+. The Co intersite (intrasite) 4p-3d hybridization suffers a decrease (increase) by delithiation. The unoccupied 3d t 2g orbitals with a 1g symmetry, containing substantial O 2p character, hybridize isotropically with Co 4p orbitals and likely to have itinerant character unlike anisotropically hybridized 3d e g orbitals. Such a peculiar electronic structure could have significant effect on the mobility of Li in LixCoO2 cathode and hence the battery characteristics.

    Original languageEnglish
    Article number105702
    JournalJournal of Physics Condensed Matter
    Volume29
    Issue number10
    DOIs
    Publication statusPublished - 2017 Jan 31

    ASJC Scopus subject areas

    • Materials Science(all)
    • Condensed Matter Physics

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