Structural Insights into Borohydride-Halide Li-Ion Conductors, LiM(BH4)X (X= Cl, Br, M = Ce, Pr)

DOI

Solid state electrolytes are key components to replace volatile liquid electrolytes in lithium-based batteries to deal with the safety concern. We propose here variable temperature Powder Neutron Diffraction experiment of synthesised lithium ion conductors, LiCe(BH4)3X (X = Cl, Br) and LiPr(BH4)3Cl . We would extract precise crystal structure parameters such as positions, site occupancy factors for the 7Li, 11B and D (and lanthanide) atoms within the structure and accurate phase fractions of the compounds vs. the binary halide by-products (produced during synthesis). The proposed temperature-dependent PND data (from ambient -150 oC at 20 °C intervals) for the LiCe(BH4)3X (X = Cl, Br) and LiPr(BH4)3Cl will correlate the thermally-activated ion transport properties (as measured by electrochemical impedance spectroscopy) to their structure and intrinsic defects.

Identifier
DOI https://doi.org/10.5286/ISIS.E.RB1920065-1
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/109978962
Provenance
Creator Dr Ron Smith; Professor Duncan Gregory; Dr Sudeshna Sen; Mr Zhen Fan
Publisher ISIS Neutron and Muon Source
Publication Year 2023
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 Chemistry; Natural Sciences
Temporal Coverage Begin 2020-02-29T08:30:00Z
Temporal Coverage End 2020-03-03T08:30:00Z