ISIS Neutron and Muon Source Data Journal

Highly Efficient Production of H2 through Methanol Reforming

Abstract: Production of hydrogen (H2) is an important task for clean energy. We designed a novel catalyst for efficient H2 production through methanol-water reforming. By tuning of the amount of Pt metal species and reducible Re oxide on the surface of reactive ?-Mo2N support, we have shifted the reaction from a competitive adsorption/activation model in typical supported metal catalysts to a non-competitive mechanism, synergistically resulting in enhanced catalytic turnover rates. We request 5 days on TOSCA to study the binding dynamics of methanol, water and intermediates over the exceptional catalyst (2Pt-2Re/?-Mo2N). The proposed study will investigate the vibrational spectroscopy of the catalyst, adsorption of methanol and H2O molecules and any possible reaction intermediates on active sites. This study aims to reveal the role of Pt and ReOx sites in adsorption and activation of reactant molecules, giving key insights into the efficient H2 production.

Public release date: 19 May 2028

Principal Investigator: Professor Sihai Yang
Experimenter: Mr Benjamin Moore
Experimenter: Dr Zirui Gao
Experimenter: Ms Xiaqian Lin
Experimenter: Professor Stewart Parker
Local Contact: Dr Svemir Rudic
Experimenter: Mr Yuting Chen
Experimenter: Mr Zhaodong Zhu

DOI: 10.5286/ISIS.E.RB2510016-1

Parent DOI: 10.5286/ISIS.E.RB2510016

ISIS Experiment Number: RB2510016

Part Number: 1

Date of Experiment: 12 May 2025

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; (2025): Highly Efficient Production of H2 through Methanol Reforming, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2510016-1

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