Apatite-type Oxides for Energy Applications: Role of Lattice Dynamics

DOI

Lanthanum-containing germanate apatites are materials with potential applications as electrolytes in solid oxide fuel cells. The conductivity of these materials is known to depend greatly on the precise composition and structure (and hence on defects and the conduction pathways available). Recent computational work suggests that electronic factors are also important. We have prepared a series of materials in which La3+ is systematically partially replaced by Bi3+ (of very similar size, but an electron lone-pair containing cation). Ab-initio molecular dynamics simulations are being performed to investigate the significance of these electronic effects induced by chemical substitution, and we need to support these with direct observation of oxide ion dynamics through inelastic and quasielastic neutron scattering. For this experiment we request 4 days of beamtime on LET.

Identifier
DOI https://doi.org/10.5286/ISIS.E.73942300
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/73942300
Provenance
Creator Dr Sanghamitra Mukhopadhyay; Mr Joseph Peet; Professor Ivana Evans; Dr Mark Johnson
Publisher ISIS Neutron and Muon Source
Publication Year 2019
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 2016-03-03T09:00:00Z
Temporal Coverage End 2016-03-08T09:00:00Z