ISIS Neutron and Muon Source Data Journal

Single vacancy catalysis with vibrational spectroscopy on MoS2

Abstract: Molybdenum disulphide (MoS2) is a promising low-cost catalyst for hydrogen-related applications, with recent studies highlighting the catalytic potential of sulphur vacancies in addition to traditional edge sites. This proposal aims to investigate the vibrational properties of both pristine and defect-engineered MoS2 using inelastic neutron scattering (INS) on TOSCA. Sulphur vacancies will be introduced via an annealing process, and both materials will be studied before and after hydrogen dosing to probe hydrogen interactions with different active sites. These measurements will build on previous INS studies of hydrogen bonding on catalytic surfaces and MoS2 edges, providing comparative insight into the role of vacancy sites. The results will support the development of improved catalysts for hydrogen production and CO2 hydrogenation. Two days of beamtime are requested to complete six measurements: pristine and defected MoS2 with and without hydrogen, plus corresponding background measurements.

Local Contact: Dr Sam Lambrick
Experimenter: Mrs Karolina Bigaj
Experimenter: Dr Paul Aden

DOI: 10.5286/ISIS.E.RB2610615

ISIS Experiment Number: RB2610615

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 Sam Lambrick et al; (2026): Single vacancy catalysis with vibrational spectroscopy on MoS2, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2610615

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