Single-Phase Lithiation in Iron Hydroxy Fluorides with Pyrochlore Structure

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 <i>operando</i> 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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Publication Details

Journal
ACS Energy Letters
Published
2025-02-06
DOI
https://doi.org/10.1021/acsenergylett.5c00218
Citations
1
Primary Topic
Advancements in Battery Materials
Type
article
Field-Weighted Citation Impact
0.73

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Single-Phase Lithiation in Iron Hydroxy Fluorides with Pyrochlore Structure

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Single-Phase Lithiation in Iron Hydroxy Fluorides with Pyrochlore Structure

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article en
1 citations

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 <i>operando</i> 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.

ACS Energy LettersVol. 10(2)
European Synchrotron Radiation Facility (FR), ETH Zurich (CH), Division of Materials Science and Engineering (AU), École Polytechnique Fédérale de Lausanne (CH)
National Science Foundation, Fonds der Chemischen Industrie, École Polytechnique Fédérale de Lausanne, Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, Eidgenössische Technische Hochschule Zürich, Norges Forskningsråd
Openalex Percentile: Top 32%
Advancements in Battery Materials
0.73
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