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

    研究成果: Article

    2 引用 (Scopus)

    抄録

    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.

    元の言語English
    記事番号105702
    ジャーナルJournal of Physics Condensed Matter
    29
    発行部数10
    DOI
    出版物ステータスPublished - 2017 1 31

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    Emission spectroscopy
    Absorption spectroscopy
    x ray absorption
    x ray spectroscopy
    Electronic structure
    absorption spectroscopy
    Single crystals
    electronic structure
    X rays
    orbitals
    high resolution
    single crystals
    spectroscopy
    x ray spectra
    electric batteries
    Absorption spectra
    Cathodes
    cathodes
    Ions
    Polarization

    ASJC Scopus subject areas

    • Materials Science(all)
    • Condensed Matter Physics

    これを引用

    High resolution x-ray absorption and emission spectroscopy of LixCoO2 single crystals as a function delithiation. / Simonelli, L.; Paris, E.; Iwai, C.; Miyoshi, K.; Takeuchi, J.; Mizokawa, Takashi; Saini, N. L.

    :: Journal of Physics Condensed Matter, 巻 29, 番号 10, 105702, 31.01.2017.

    研究成果: Article

    Simonelli, L. ; Paris, E. ; Iwai, C. ; Miyoshi, K. ; Takeuchi, J. ; Mizokawa, Takashi ; Saini, N. L. / High resolution x-ray absorption and emission spectroscopy of LixCoO2 single crystals as a function delithiation. :: Journal of Physics Condensed Matter. 2017 ; 巻 29, 番号 10.
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    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.",
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    AU - Simonelli, L.

    AU - Paris, E.

    AU - Iwai, C.

    AU - Miyoshi, K.

    AU - Takeuchi, J.

    AU - Mizokawa, Takashi

    AU - Saini, N. L.

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    N2 - 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.

    AB - 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.

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