Na2FeF4 as a stable cathode material for Na-ion batteries

Qi Yan; Huan Xu; Khang Hoang; Xiaolong Zhou; Pinit Kidkhunthod; Philip Lightfoot; Wenjiao Yao; Yongbing Tang

doi:10.1063/5.0111765

Na₂FeF₄ as a stable cathode material for Na-ion batteries

Qi Yan, Huan Xu, Khang Hoang, Xiaolong Zhou, Pinit Kidkhunthod, Philip Lightfoot, Wenjiao Yao^*, Yongbing Tang^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

In the search of cathode materials for Na-ion batteries, iron-based compounds have attracted much attention due to the abundant resource, easy access, and environmental friendliness of iron. Herein, we report the synthesis, structure, and electrochemistry of a previously unknown compound in the Na–Fe–F system, formulated as Na₂FeF₄. It is prepared by an easy and mild hydrothermal reaction with oxalate as a Fe²⁺ protector. Based on the single crystal x-ray diffraction analysis, it crystallizes in space group Pmcb with a = 3.255 (3) Å, b = 5.591(7) Å, and c = 9.557(1) Å. The crystal structure features edge-sharing FeF₆ octahedra to form [FeF₄]_∞ chains with Na⁺ ions located between chains. In electrochemical investigations, it is demonstrated that the material can deliver a reversible capacity of ∼90 mAh g⁻¹ for 300 cycles in the window of 1.5–4.3 V with redox reactions at ∼3.0 V (vs Na⁺/Na). Such an activity originates from the Fe³⁺/Fe²⁺ redox couple, confirmed by x-ray absorption spectra and first-principles calculations.

Original language	English
Article number	143902
Number of pages	5
Journal	Applied Physics Letters
Volume	121
Issue number	14
DOIs	https://doi.org/10.1063/5.0111765
Publication status	Published - 3 Oct 2022

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@article{e29e37027d114cf5922df45e5c720a52,

title = "Na2FeF4 as a stable cathode material for Na-ion batteries",

abstract = "In the search of cathode materials for Na-ion batteries, iron-based compounds have attracted much attention due to the abundant resource, easy access, and environmental friendliness of iron. Herein, we report the synthesis, structure, and electrochemistry of a previously unknown compound in the Na–Fe–F system, formulated as Na2FeF4. It is prepared by an easy and mild hydrothermal reaction with oxalate as a Fe2+ protector. Based on the single crystal x-ray diffraction analysis, it crystallizes in space group Pmcb with a = 3.255 (3) {\AA}, b = 5.591(7) {\AA}, and c = 9.557(1) {\AA}. The crystal structure features edge-sharing FeF6 octahedra to form [FeF4]∞ chains with Na+ ions located between chains. In electrochemical investigations, it is demonstrated that the material can deliver a reversible capacity of ∼90 mAh g−1 for 300 cycles in the window of 1.5–4.3 V with redox reactions at ∼3.0 V (vs Na+/Na). Such an activity originates from the Fe3+/Fe2+ redox couple, confirmed by x-ray absorption spectra and first-principles calculations.",

author = "Qi Yan and Huan Xu and Khang Hoang and Xiaolong Zhou and Pinit Kidkhunthod and Philip Lightfoot and Wenjiao Yao and Yongbing Tang",

note = "The authors gratefully acknowledge the financial support from the National Natural Science Foundation of China (Nos. 52125105, 22005329, and 51972329), the NSFC/RGC Joint Research Scheme (Nos. 52061160484 and N_CityU104/20), the Shenzhen International Collaboration Research Project (No. GJHZ20210705141407023), the Shenzhen Science and Technology Planning Project (Nos. JCYJ20190807172001755 and JCYJ20200109115624923), and the Science and Technology Planning Project of Guangdong Province (Nos. 2019A1515110975, 2021A1515010184, and 2019TX05L389).",

year = "2022",

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doi = "10.1063/5.0111765",

language = "English",

volume = "121",

journal = "Applied Physics Letters",

issn = "0003-6951",

publisher = "American Institute of Physics",

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TY - JOUR

T1 - Na2FeF4 as a stable cathode material for Na-ion batteries

AU - Yan, Qi

AU - Xu, Huan

AU - Hoang, Khang

AU - Zhou, Xiaolong

AU - Kidkhunthod, Pinit

AU - Lightfoot, Philip

AU - Yao, Wenjiao

AU - Tang, Yongbing

N1 - The authors gratefully acknowledge the financial support from the National Natural Science Foundation of China (Nos. 52125105, 22005329, and 51972329), the NSFC/RGC Joint Research Scheme (Nos. 52061160484 and N_CityU104/20), the Shenzhen International Collaboration Research Project (No. GJHZ20210705141407023), the Shenzhen Science and Technology Planning Project (Nos. JCYJ20190807172001755 and JCYJ20200109115624923), and the Science and Technology Planning Project of Guangdong Province (Nos. 2019A1515110975, 2021A1515010184, and 2019TX05L389).

PY - 2022/10/3

Y1 - 2022/10/3

N2 - In the search of cathode materials for Na-ion batteries, iron-based compounds have attracted much attention due to the abundant resource, easy access, and environmental friendliness of iron. Herein, we report the synthesis, structure, and electrochemistry of a previously unknown compound in the Na–Fe–F system, formulated as Na2FeF4. It is prepared by an easy and mild hydrothermal reaction with oxalate as a Fe2+ protector. Based on the single crystal x-ray diffraction analysis, it crystallizes in space group Pmcb with a = 3.255 (3) Å, b = 5.591(7) Å, and c = 9.557(1) Å. The crystal structure features edge-sharing FeF6 octahedra to form [FeF4]∞ chains with Na+ ions located between chains. In electrochemical investigations, it is demonstrated that the material can deliver a reversible capacity of ∼90 mAh g−1 for 300 cycles in the window of 1.5–4.3 V with redox reactions at ∼3.0 V (vs Na+/Na). Such an activity originates from the Fe3+/Fe2+ redox couple, confirmed by x-ray absorption spectra and first-principles calculations.

AB - In the search of cathode materials for Na-ion batteries, iron-based compounds have attracted much attention due to the abundant resource, easy access, and environmental friendliness of iron. Herein, we report the synthesis, structure, and electrochemistry of a previously unknown compound in the Na–Fe–F system, formulated as Na2FeF4. It is prepared by an easy and mild hydrothermal reaction with oxalate as a Fe2+ protector. Based on the single crystal x-ray diffraction analysis, it crystallizes in space group Pmcb with a = 3.255 (3) Å, b = 5.591(7) Å, and c = 9.557(1) Å. The crystal structure features edge-sharing FeF6 octahedra to form [FeF4]∞ chains with Na+ ions located between chains. In electrochemical investigations, it is demonstrated that the material can deliver a reversible capacity of ∼90 mAh g−1 for 300 cycles in the window of 1.5–4.3 V with redox reactions at ∼3.0 V (vs Na+/Na). Such an activity originates from the Fe3+/Fe2+ redox couple, confirmed by x-ray absorption spectra and first-principles calculations.

U2 - 10.1063/5.0111765

DO - 10.1063/5.0111765

M3 - Article

SN - 0003-6951

VL - 121

JO - Applied Physics Letters

JF - Applied Physics Letters

IS - 14

M1 - 143902

ER -

Na2FeF4 as a stable cathode material for Na-ion batteries

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Na₂FeF₄ as a stable cathode material for Na-ion batteries