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.
Molecular dynamics at phase transitions in dyalkylammonium metal-halides for oriented materials design
Abstract: Order-disorder transitions in dialkylammonium metal halides leverage the activation energy associated with the emerging strong molecular dynamics to offer functionalities for thermal energy storage (TES) and solid-state cooling and heating. These consist of an inorganic part sandwiching organic chains which are stabilized via van der Waals interactions between chains, and H bonds and electrostatic interactions linking ammonia and inorganic ions. A major transition with large latent heat occurs associated with the pseudo-melting of the organic chain, where the longer the alkyl chain length the higher the transition temperature and the larger the latent heat, For chains of length n=16:22, the temperature range of 100-200 C for the transition makes them appealing for TES from industrial low-grade waste heat, for which alternative technologies are difficult to use. Unveiling the molecular dynamics is key for oriented materials design to optimize the thermal storage performance and therefore we propose to measure both QENS and INS on dialkylammonium (n=20) zinc chloride.
Principal Investigator: Dr Helen Walker
Experimenter: Dr Jonathan Gebbia
Experimenter: Professor Roc Matheu
Experimenter: Dr Luis Carlos Pardo-Soto
Experimenter: Dr Pol Lloveras
Experimenter: Ms Laura Ribas
Experimenter: Mr Gustavo Madrigal
Experimenter: Miss Claudia Perez Junyent
Local Contact: Dr Franz Demmel
DOI: 10.5286/ISIS.E.RB2620138
ISIS Experiment Number: RB2620138
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2620138-1 | OSIRIS | 23 October 2029 | Download |
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 Helen Walker et al; (2026): Molecular dynamics at phase transitions in dyalkylammonium metal-halides for oriented materials design, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2620138
Data is released under the CC-BY-4.0 license.
