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.


Detecting O-O diatomics trapped in high energy density Li-ion battery cathode materials using Inelastic Neutron Scattering

Abstract: The energy density of Li-ion batteries is currently restricted by the cathode material, typically a layered Li transition metal (TM) oxide. High energy densities can be accessed in Li-rich materials, such as Li1.2Ni0.13Mn0.54Co0.13O2, by oxidising the oxide ions in the crystal lattice in addition to the TMs present, however, this reaction triggers severe structural rearrangement, including suspected dimerization of oxidised oxide ions to form O-O bonds. Characterising these in the bulk of a solid inorganic material is very challenging, and conclusive identification remains elusive. We propose to use Inelastic Neutron Scattering to record the vibrational spectra of samples of Li1.2Ni0.13Mn0.54Co0.13O2 collected before and after O-oxidation across the range of frequencies expected from O-O diatomics to detect the appearance any O-O diatomic that may be present.

Principal Investigator: Professor Peter Bruce
Local Contact: Professor Stewart Parker
Experimenter: Dr Robert House
Experimenter: Mr JJ Marie

DOI: 10.5286/ISIS.E.RB2010035

ISIS Experiment Number: RB2010035

Part DOI Instrument Public release date Download Link
10.5286/ISIS.E.RB2010035-1 MAPS 29 September 2023 Download

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Peter Bruce et al; (2020): Detecting O-O diatomics trapped in high energy density Li-ion battery cathode materials using Inelastic Neutron Scattering, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2010035

Data is released under the CC-BY-4.0 license.



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