ISIS Neutron and Muon Source Data Journal

Structural Investigations of Substituted Bornites

Abstract: Thermoelectric (TE) materials enable the recovery of useful electrical energy from waste heat. High-efficiency requires a high electrical conductivity to be coupled with a high Seebeck coefficient and low thermal conductivity. The very low thermal conductivity of bornite, a naturally occurring copper-iron sulphide, makes it an attractive candidate TE material. Our investigations into improving the electrical properties of bornite without impairing the thermal conductivity have led to the discovery of synthetic analogues that show excellent TE performance. We wish to investigate the detailed structure of these materials by powder neutron diffraction. We will study the evolution of cation/vacancy ordering through two structural transitions and the behaviour of the copper sub-lattice, which appears to be responsible for a reduction in lattice thermal conductivity.

Principal Investigator: Professor Anthony Powell
Experimenter: Dr Paz Vaqueiro-Rodriguez
Experimenter: Dr Steve Hull
Experimenter: Mr Sebastian Long
Local Contact: Dr Ronald Smith
Experimenter: Mr Shoeb Athar

DOI: 10.5286/ISIS.E.RB1720199

ISIS Experiment Number: RB1720199

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Anthony Powell et al; (2017): Structural Investigations of Substituted Bornites, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1720199

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