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.
Pressure-Induced Structural Transitions in Zeolitic Imidazolate Frameworks
Abstract: The structural evolution of ZIFs as a function of CO2 and N2 adsorption/desorption will be investigated using in situ neutron total scattering. ZIFs exhibit conformational and phase transitions that increase the uptake of guest molecules. Phase-to-phase transformations due to pressure and gate-opening (adsorption) and -closing (desorption) have been observed in the short- and long-range structure of ZIF-8 and ZIF-7 at moderate and high pressures. In this study, we will follow the structural transitions of the two ZIFs at different pressures (1.35 ? 10 bar) of CO2, N2, and an equimolar CO2/N2 mixture. By using total scattering, we aim to elucidate the interplay between local adsorption phenomena and long-range structure. The mechanistic information obtained from this study will enable the design and development of more effective MOFs for gas adsorption. We also hope to isolate the ideal process conditions for trapping guest molecules and selective adsorption, which are essential to carbon capture, utilisation, and storage technologies.
Experimenter: Dr James Le Houx
Local Contact: Dr Tom Headen
Experimenter: Dr Iuliia Mikulska
Experimenter: Dr Huw Shiel
Experimenter: Dr Sofia Diaz-Moreno
Experimenter: Dr Roberto Boada Romero
Experimenter: Mr Calum Green
Experimenter: Dr Daniel Bowron
Experimenter: Dr Thokozile Kathyola
DOI: 10.5286/ISIS.E.RB2320215
ISIS Experiment Number: RB2320215
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2320215-1 | NIMROD | 19 December 2026 | Download |
| 10.5286/ISIS.E.RB2320215-2 | NIMROD | 19 February 2027 | Download |
| 10.5286/ISIS.E.RB2320215-3 | NIMROD | 19 March 2028 | 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 James Le Houx et al; (2023): Pressure-Induced Structural Transitions in Zeolitic Imidazolate Frameworks, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2320215
Data is released under the CC-BY-4.0 license.
