Na2FePO4F cathode utilized in hybrid-ion batteries: a mechanistic exploration of ion migration and diffusion capability

Weixin Song; Xiaobo Ji; Zhengping Wu; Yirong Zhu; Yinpeng Yao; Kaili Huangfu; Qiyuan Chen; Craig E. Banks

doi:10.1039/C3TA14472K

Na₂FePO₄F cathode utilized in hybrid-ion batteries: a mechanistic exploration of ion migration and diffusion capability†

Weixin Song,^a Xiaobo Ji,*^a Zhengping Wu,^a Yirong Zhu,^a Yinpeng Yao,^a Kaili Huangfu,^a Qiyuan Chen^a and Craig E. Banks*^b

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* Corresponding authors

^a Key Laboratory of Resources Chemistry of Nonferrous Metals, Ministry of Education, College of Chemistry and Chemical Engineering, Central South University, Changsha, China
E-mail: xji@csu.edu.cn
Fax: +86 731 88879616

^b Faculty of Science and Engineering, School of Science and the Environment, Division of Chemistry and Environmental Science, Manchester Metropolitan University, Chester Street, Manchester M1 5GD, Lancs, UK
E-mail: c.banks@mmu.ac.uk
Fax: +44 (0)1612476831

Abstract

Layered Na₂FePO₄F is utilized as a cathode in hybrid-ion batteries in order to explore the ion migration and diffusion capability. It is the first time that the ion migration mechanism and capability in a hybrid-ion battery is investigated by considering the activation energies of different migration ways. It is proposed that a rapid ion exchange of Na⁺ ions on the Na(2) site of the crystal structure with Li⁺ ions can take place to produce the NaLiFePO₄F phase and is firstly confirmed by first principle calculations. Li⁺ ion conduction in NaLiFePO₄F is prone to be two-dimensional (2D) in the interlayer plane with an essentially restricted migration along the [010] direction for interlayer transport due to the much higher energy value (4.53 eV for sodium ion and 1.63 eV for lithium ion). Additionally, the 2D ways which need lower activation energies along [100] and [001] directions and the small volume variation during redox cycling are responsible for the large diffusion capability with a maximum magnitude of 10⁻¹⁰ cm² s⁻¹.

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DOI: https://doi.org/10.1039/C3TA14472K
Article type: Paper
Submitted: 01 Nov 2013
Accepted: 12 Dec 2013
First published: 08 Jan 2014

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J. Mater. Chem. A, 2014,2, 2571-2577

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Na₂FePO₄F cathode utilized in hybrid-ion batteries: a mechanistic exploration of ion migration and diffusion capability

W. Song, X. Ji, Z. Wu, Y. Zhu, Y. Yao, K. Huangfu, Q. Chen and C. E. Banks, J. Mater. Chem. A, 2014, 2, 2571 DOI: 10.1039/C3TA14472K

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Journal of Materials Chemistry A

Na₂FePO₄F cathode utilized in hybrid-ion batteries: a mechanistic exploration of ion migration and diffusion capability†

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Na₂FePO₄F cathode utilized in hybrid-ion batteries: a mechanistic exploration of ion migration and diffusion capability

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Journal of Materials Chemistry A