ISIS Neutron and Muon Source Data Journal

Total Scattering Investigations of Electrolytes for Li/S Batteries – First experimental proof of polysulfide clustering

Abstract: Lithium sulfur (Li/S) batteries have a fivefold higher theoretical gravimetric energy density (2680 Wh/kgsulfur) than state-of-the-art lithium ion batteries. In addition, the abundant raw materials and its environmental friendliness qualify this electrochemical storage system as one of the most promising candidates for the post-lithium-ion-era. The appearance of lithium polysulfides (PS) during the intermediate state between the charged and discharged state has attracted more and more scientific interest over the last years. However, the fundamental understanding of lithium PS is still limited. We have developed an atomistic model for lithium PS in Li/S cells with molecular dynamics (MD) simulations. Therefore, it is necessary to compare our MD simulations with advanced scattering experiments to understand the structure of lithium PS in solution at the atomistic level.

Principal Investigator: Dr Sebastian Risse
Experimenter: Dr Luca Silvi
Experimenter: Mr CHANBUM PARK
Experimenter: Dr Eneli Härk
Local Contact: Dr Tom Headen

DOI: 10.5286/ISIS.E.RB1910470

ISIS Experiment Number: RB1910470

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 Sebastian Risse et al; (2019): Total Scattering Investigations of Electrolytes for Li/S Batteries – First experimental proof of polysulfide clustering , STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1910470

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