ISIS Neutron and Muon Source Data Journal

Role of nuclear quantum tunnelling (NQT) in the dynamics of confined water molecules in NaX faujasite: The Neutron Compton Scattering view

Abstract: Already in the low temperature region of the water adsorption behaviour in faujasite NaX at different hydration levels, an important question that requires further research is kept open: what is the possible role and type of nuclear quantum tunnelling (NQT) in the dynamics of confined water molecules. This proposal aims to shed more light on this question by conducting experiments of Neutron Compton Scattering (NCS) experiments on H2O confined in the NaX faujasite network at temperatures between 30 and 70 K, to investigate the probability of proton NQT inside the water clusters in zeolite cages and modelling the ADPs of the zeolite framework atoms to get the predictions for the nuclear momentum distributions (NMD)

Principal Investigator: Dr JOSE MARTINEZ-GONZALEZ
Experimenter: Dr Matthias Gutmann
Experimenter: Professor Giovanni Romanelli
Experimenter: Dr Matthew Krzystyniak

DOI: 10.5286/ISIS.E.RB1920040

ISIS Experiment Number: RB1920040

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 JOSE MARTINEZ-GONZALEZ et al; (2019): Role of nuclear quantum tunnelling (NQT) in the dynamics of confined water molecules in NaX faujasite: The Neutron Compton Scattering view, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1920040

Data is released under the CC-BY-4.0 license.