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.
Probing Li diffusion in d0-free disordered rocksalt cathodes
Abstract: Disordered rocksalt oxides (DRX) are promising lithium-ion cathodes due to their high energy density and compositional flexibility, enabling Co- and Ni-free chemistries. Mn-rich DRX materials have recently attracted significant attention, as they can deliver capacities exceeding 200 mAh g-1 while maintaining excellent capacity retention. This performance is associated with a cycling-induced delta-phase transformation involving local cation rearrangements, which generates a mosaic of spinel nanodomains separated by antiphase boundaries (APBs). This nanodomain structure increases the reversible capacity. However, the roles of APBs, spinel domain size, and Mn3+-induced Jahn-Teller distortions in governing Li+ transport and (de)lithiation mechanisms remain unclear. Here, we investigate Li+ diffusion in delta-transformed Li1.1Mn0.9O1.9F0.1 (LM9) using operando muon spin relaxation, and compare its behavior to that of the prototypical ordered spinel LixMn2O4. By correlating Li+ transport with structural evolution (operando XRD) and Jahn-Teller distortions (operando EXAFS) in delta-LM9, we aim to elucidate how structural complexity in delta-transformed DRX governs Li+ diffusion and microstructural evolution, thereby informing the rational design of high-performance Mn-based cathode materials.
Local Contact: Dr Peter Baker
Experimenter: Mr Erick Lawrence
Experimenter: Dr Innes McClelland
Experimenter: Professor Raphaele Clement
Experimenter: Miss Jipeng Zhang
Experimenter: Mr Nicholas McKalip
Experimenter: Professor Serena Cussen
DOI: 10.5286/ISIS.E.RB2620295
ISIS Experiment Number: RB2620295
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2620295-1 | EMU | 20 October 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],
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For Example:
Dr Peter Baker et al; (2026): Probing Li diffusion in d0-free disordered rocksalt cathodes , STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2620295
Data is released under the CC-BY-4.0 license.
