ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
Uncovering Structural Mechanisms in Anionic Redox Process in Na-Rich Iron Based Cathode Materials using Neutron Diffraction
Abstract: Na-ion batteries are emerging as a cost-effective and sustainable alternative to lithium-ion batteries, particularly for large-scale energy storage. We have developed new Na-rich iron-based cathode materials, analogous to Li-rich compounds, which show promise for higher capacities by exploiting high valence Fe redox and additional charge compensation through anionic (OČ?) redox, but have larger voltage hysteresis. Preliminary characterizations?including XRD, STEM, and XAS?suggest reversible phase transitions and anionic redox, but X-rays are limited in probing light elements and differentiating cation disorder. The neutron diffraction offers significant advantages over the lab X-ray data in its ability to collect high-quality diffraction data to high Q, which can help determine site occupancies where species are disordered over various crystallographic sites. We propose to use high-resolution neutron powder diffraction to uncover its structural mechanisms by quantifying Na site occupancy and tracking potential Fe/Sb disorder or migration for the samples at different states of charge. The results will provide critical insight into structural changes driving reversibility in the Na-rich compounds and establish structure?property relationships governing anionic redox.
Principal Investigator: Dr Jun Chen
Local Contact: Dr Gabriel Perez
Experimenter: Mr Bartholomew Payne
DOI: 10.5286/ISIS.E.RB2520528
ISIS Experiment Number: RB2520528
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2520528-1 | POLARIS | 18 March 2029 | Download |
Publisher: STFC ISIS Neutron and Muon Source
Data format: RAW/Nexus
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Data Citation
The recommended format for citing this dataset in a research
publication is as:
[author], [date], [title], [publisher],
[doi]
For Example:
Dr Jun Chen et al; (2026): Uncovering Structural Mechanisms in Anionic Redox Process in Na-Rich Iron Based Cathode Materials using Neutron Diffraction, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2520528
Data is released under the CC-BY-4.0 license.
