Fast Diffusivity of PF6- Anions in Graphitic Carbon for a Dual-Carbon Rechargeable Battery with Superior Rate Property

Seiji Miyoshi, Taner Akbay, Takuya Kurihara, Taro Fukuda, Aleksandar Tsekov Staykov, Shintaro Ida, Tatsumi Ishihara

    研究成果: ジャーナルへの寄稿学術誌査読

    64 被引用数 (Scopus)

    抄録

    The diffusivity of PF6- intercalated into graphitic carbon is investigated using the galvanostatic intermittent titration technique (GITT) and electrochemical impedance spectroscopy (EIS). The chemical diffusion constant D of PF6- is estimated by the GITT and EIS to be around 10-12 cm2/s. The diffusivity of PF6- in graphitic carbon is comparable to or slightly higher than that of Li+ in oxide cathode materials such as LiFePO4 or LiCoO2 for Li ion batteries. The activation energy for PF6- diffusion is also estimated using EIS and found to be around 0.366 eV. The diffusion route of PF6- in graphitic carbon is probed using density functional theory (DFT), and diffusion is found to be slightly easier along the «100» direction than along the «110» direction. The estimated activation energy for PF6- diffusion obtained by DFT calculation was about 0.23 eV, which is lower than that estimated using EIS. However, both the experimentally measured and theoretically calculated low activation barrier values confirm the fast diffusivity of PF6- along the «100» family of directions in graphitic carbon, which is an interesting phenomenon in light of its large ionic size. This result also suggests that a superior rate property can reasonably be achieved in dual-carbon battery applications.

    本文言語英語
    ページ(範囲)22887-22894
    ページ数8
    ジャーナルJournal of Physical Chemistry C
    120
    40
    DOI
    出版ステータス出版済み - 10月 13 2016

    !!!All Science Journal Classification (ASJC) codes

    • 電子材料、光学材料、および磁性材料
    • エネルギー(全般)
    • 物理化学および理論化学
    • 表面、皮膜および薄膜

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