ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
Librational contributions to entropy in barocaloric quinuclidinium salts
Abstract: Barocaloric materials are a promising new environmentally friendly refrigeration technology, allowing heat to be pumped using phase transitions associated with large entropy changes. However, the atomic origins of these entropy changes are poorly understood at present, limiting the opportunities to engineer these materials. We have recently shown that phonons, in particular low-energy molecular librational modes, give major contributions to the entropy change even for materials with apparently pure order-disorder transitions. Here we will use TOSCA to measure the phonon density of states of a new family of barocaloric materials, the quinuclidinium salts, to investigate their large entropy changes, focusing on the low-energy librations at low temperature. We have separately applied for MAPS time to understand the changes in the hydrogen bonding network at high energy transfers. Our results will not only be invaluable for understanding this particular material and its immediate family, but will demonstrate the power of inelastic neutron scattering for understanding molecular barocalorics, even when deuteration is impractical.
Principal Investigator: Dr Anthony Phillips
Experimenter: Miss Bernet Meijer
Local Contact: Dr Jeff Armstrong
Experimenter: Dr Richard Dixey
Experimenter: Dr Helen Walker
Experimenter: Mr Shiqi Gan
Experimenter: Mr Peter Nguyen-Minh
DOI: 10.5286/ISIS.E.RB2310669
ISIS Experiment Number: RB2310669
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2310669-1 | TOSCA | 28 February 2027 | Download |
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:
Dr Anthony Phillips et al; (2024): Librational contributions to entropy in barocaloric quinuclidinium salts, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2310669
Data is released under the CC-BY-4.0 license.
