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

DOI

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.

Identifier
DOI https://doi.org/10.5286/ISIS.E.RB1910470-1
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/101144946
Provenance
Creator Dr Sebastian Risse; Dr Luca Silvi; Mr CHANBUM PARK; Dr Eneli Härk; Dr Tom Headen
Publisher ISIS Neutron and Muon Source
Publication Year 2022
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2019-03-14T09:00:00Z
Temporal Coverage End 2019-03-26T12:05:40Z