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.
Neutron Diffraction Studies of Metal-Organic Frameworks for H2O/D2O Separation
Abstract: The study of novel porous metal-organic frameworks (MOFs) is attracting considerable global interest owing to their potential applications in adsorption, storage, and separation. We aim to develop highly robust MOF materials as efficient systems for separating water and heavy water (H2O/D2O) and request 4 days of beamtime on WISH to investigate the host-guest structures formed between adsorbed H2O/D2O and a series of Cu-based MOF materials specifically, PKU-170 and its derivatives PKU-170-(X) as a function of H2O/D2O loading. This research will focus on determining the positions of protons and deuterons within the water and heavy water clusters, which will allow us to elucidate the structure of these adsorbed clusters and their interactions with the frameworks. The Cu-based MOF materials exhibit varying capabilities for H2O/D2O capturing, suggesting the presence of specific guest-host interactions and distinct cluster configurations. Our goal is to uncover the nature of H2O/D2O uptake by analysing their neutron powder diffraction (NPD) patterns.
Principal Investigator: Professor Sihai Yang
Experimenter: Mr Zhao Gen
Experimenter: Mr Ruichen Zhang
Experimenter: Mr Tianze Zhou
Experimenter: Mr Fan Jiarui
Experimenter: Mr Benjamin Moore
Experimenter: Dr Shan Dai
Local Contact: Dr Pascal Manuel
Experimenter: Dr Jiangnan Li
Experimenter: Professor Martin Schroder
DOI: 10.5286/ISIS.E.RB2610045
ISIS Experiment Number: RB2610045
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2610045-1 | WISH | 05 June 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:
Professor Sihai Yang et al; (2026): Neutron Diffraction Studies of Metal-Organic Frameworks for H2O/D2O Separation, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2610045
Data is released under the CC-BY-4.0 license.
