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

Research output: Contribution to journalArticle

22 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)22887-22894
Number of pages8
JournalJournal of Physical Chemistry C
Volume120
Issue number40
DOIs
Publication statusPublished - Oct 13 2016

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Secondary batteries
diffusivity
Anions
electric batteries
Negative ions
Carbon
anions
impedance
carbon
Electrochemical impedance spectroscopy
titration
spectroscopy
activation energy
density functional theory
Titration
Density functional theory
Activation energy
cathodes
routes
activation

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

Cite this

Fast Diffusivity of PF6- Anions in Graphitic Carbon for a Dual-Carbon Rechargeable Battery with Superior Rate Property. / Miyoshi, Seiji; Akbay, Taner; Kurihara, Takuya; Fukuda, Taro; Staykov, Aleksandar Tsekov; Ida, Shintaro; Ishihara, Tatsumi.

In: Journal of Physical Chemistry C, Vol. 120, No. 40, 13.10.2016, p. 22887-22894.

Research output: Contribution to journalArticle

Miyoshi, Seiji ; Akbay, Taner ; Kurihara, Takuya ; Fukuda, Taro ; Staykov, Aleksandar Tsekov ; Ida, Shintaro ; Ishihara, Tatsumi. / Fast Diffusivity of PF6- Anions in Graphitic Carbon for a Dual-Carbon Rechargeable Battery with Superior Rate Property. In: Journal of Physical Chemistry C. 2016 ; Vol. 120, No. 40. pp. 22887-22894.
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