Single-Phase Lithiation in Iron Hydroxy Fluorides with Pyrochlore Structure


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Date

2025-02-14

Publication Type

Journal Article

ETH Bibliography

yes

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Abstract

3D transition metal fluorides have long been recognized as appealing low-cost, high-energy-density cathode materials for Li-ion batteries, but their conversion-type lithiation mechanism induces structural and morphological changes, limiting their cycling stability. Our findings now suggest that metal fluorides may undergo single-phase lithiation when crystallized in a pyrochlore structure, enabled by the presence of Li-ion storage sites within interconnected hexagonal channels. By conducting a detailed analysis of pyrochlore iron(III) hydroxy fluorides during lithiation using operando X-ray absorption spectroscopy, X-ray total scattering, and electron microscopy, we provide evidence for a possible single-phase lithiation mechanism and robust structural stability. These results challenge the traditional view of conversion-type lithiation in metal fluorides and highlight their potential for achieving high cycling stability and eventual commercialization in Li-ion batteries.

Publication status

published

Editor

Book title

Volume

10 (2)

Pages / Article No.

1082 - 1088

Publisher

American Chemical Society

Event

Edition / version

Methods

Software

Geographic location

Date collected

Date created

Subject

Organisational unit

02024 - Small Molecule Crystallography Center check_circle
02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.

Notes

Funding

189629 - Enhanced combination of synchrotron diffraction and spectroscopy for studying materials and processes focussed on sustainable technologies and environmental issues (SNF)

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