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 journalArticlepeer-review

2 Citations (Scopus)
3 Downloads (Pure)


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 languageEnglish
Article number143902
Number of pages5
JournalApplied Physics Letters
Issue number14
Publication statusPublished - 3 Oct 2022


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