ISIS Neutron and Muon Source Data Journal

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

Abstract: 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.

Principal Investigator: Dr Mark Johnson
Local Contact: Dr Sanghamitra Mukhopadhyay
Experimenter: Mr Joseph Peet
Experimenter: Professor Ivana Evans

DOI: 10.5286/ISIS.E.RB1610108

ISIS Experiment Number: RB1610108

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 Mark Johnson et al; (2016): Apatite-type Oxides for Energy Applications: Role of Lattice Dynamics, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1610108

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