ISIS Neutron and Muon Source Data Journal

In situ Neutron Diffraction Studies of CO2 Photoreduction over MOF-catalysts

Abstract: The photocatalytic reduction of CO2 to liquid C2+ products is an important but extremely challenging target owing to difficulties in the formation of C?C bonds. Metal?organic frameworks (MOFs) show porous structures and tuneable band-gap and thus emerge as promising photocatalysts. We have prepared a series of Ce-MOF catalysts [Ce-UiO-66-R (R= -NH2, -NO2, -COOH, -Br, -H)] for CO2 photoreduction. Importantly, Ce(IV)-UiO-66-NH2 shows an unprecedented catalytic performance for the reduction of CO2 to acetic acid (1.4 mmol gcat-1 h-1, selectivity >99.9%), which surpasses all state-of-the-art catalysts (unpublished). This proposal aims to test a newly developed sample environment coupling neutron powder diffraction (NPD) and photocatalysis at WISH to evaluate the formation of intermediates of the hydrogenation and C-C coupling as well as any structural changes during the reaction, which will afford key insights into the catalytic mechanism, the first of its kind in NPD studies.

Principal Investigator: Professor Martin Schroder
Local Contact: Dr Pascal Manuel
Experimenter: Professor Sihai Yang
Experimenter: Dr Jiangnan Li
Experimenter: Mr Benjamin Moore
Experimenter: Dr Shan Dai

DOI: 10.5286/ISIS.E.RB2420072

ISIS Experiment Number: RB2420072

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 Martin Schroder et al; (2024): In situ Neutron Diffraction Studies of CO2 Photoreduction over MOF-catalysts, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2420072

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