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.
Public release date: 19 February 2027
Principal Investigator: Dr Thokozile Kathyola
Experimenter: Dr Huw Shiel
Experimenter: Dr Iuliia Mikulska
Experimenter: Mr Calum Green
Local Contact: Dr Tom Headen
Experimenter: Dr Daniel Bowron
Experimenter: Dr Roberto Boada Romero
Experimenter: Dr Sofia Diaz-Moreno
Experimenter: Dr James Le Houx
Experimenter: Dr Nitya Ramanan
DOI: 10.5286/ISIS.E.RB2320215-2
Parent DOI: 10.5286/ISIS.E.RB2320215
ISIS Experiment Number: RB2320215
Part Number: 2
This dataset is NOT yet publicly available.
The release date is: 19 February 2027
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Date of Experiment: 15 February 2024
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],
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For Example:
Dr Thokozile Kathyola et al; (2024): Pressure-Induced Structural Transitions in Zeolitic Imidazolate Frameworks, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2320215-2
Data is released under the CC-BY-4.0 license.
