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.
Deciphering the Anionic Redox Process in Li-rich Oxysulfide Cathodes for Li-ion Batteries using Neutron PDF
Abstract: The energy density of conventional Li-ion batteries can be greatly improved by storing charge through the oxidation of anion ions in the cathode materials, like in Li-rich oxides and Li-rich sulfide. However, oxidizing O2- leads to irreversible oxygen gas evolution, voltage fade and sluggish kinetics, while S2- oxidation suffers from the lower redox potential itself. Instead, designing the dual-anion Li-rich oxysulfides, such as Li2FeSO, through combing the energy advantage of oxygen ligand (O2-) with the stability of sulfide ligand (S2-), offers a whole new chemical space to explore high energy density cathode materials. However, in the Li-rich oxysulfide cathodes, the fundamental structure evolution during anion redox remains poorly understood, and whether O2- oxidation contributes to capacity and the nature of oxidized S2- are still under debate. This proposal aims to apply neutron total scattering and pair distribution function (PDF) to study the local atomic structure of the charged Li-rich oxysulfide occurring during S-redox, including the coordination environment evolution of Li/Fe/Mn, any formation of the amorphous/nanostructured phases, and dimer species (eg. S-S dimer, O-O dimer) as localised ?defect? states. This study will allow us uncover the anionic redox process in Li-rich oxysulfide and provide the foundation towards exploring the new high-energy battery materials with dual anion ligands.
Principal Investigator: Dr Robert House
Local Contact: Dr Helen Playford
Experimenter: Dr Sofia De Sousa Coutinho
Experimenter: Mr Rui Qi
DOI: 10.5286/ISIS.E.RB2420304
ISIS Experiment Number: RB2420304
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2420304-1 | POLARIS | 18 December 2027 | 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 Robert House et al; (2024): Deciphering the Anionic Redox Process in Li-rich Oxysulfide Cathodes for Li-ion Batteries using Neutron PDF, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2420304
Data is released under the CC-BY-4.0 license.
