Single-Phase Lithiation in Iron Hydroxy Fluorides with Pyrochlore Structure
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2025-02-14
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Journal Article
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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.
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published
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10 (2)
Pages / Article No.
1082 - 1088
Publisher
American Chemical Society
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Organisational unit
02024 - Small Molecule Crystallography Center
02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.
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Funding
189629 - Enhanced combination of synchrotron diffraction and spectroscopy for studying materials and processes focussed on sustainable technologies and environmental issues (SNF)