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Following Cu Microstructure Evolution in CuZnO/Al_{2}O_{3}(−Cs) Catalysts During Activation in H_{2} using in situ XRD and XRD-CT

Farmer, Daniela M; Jacques, Simon DM; Waller, David; Boullosa Eiras, Sara; Roy, Kanak; Held, Georg; Sankar, Gopinathan; (2022) Following Cu Microstructure Evolution in CuZnO/Al_{2}O_{3}(−Cs) Catalysts During Activation in H_{2} using in situ XRD and XRD-CT. Chemistry–Methods , Article e202200015. 10.1002/cmtd.202200015. (In press). Green open access

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Abstract

Understanding how the microstructure of the active Cu0 component in the commercially applicable Cu/ZnO/Al_{2}O_{3}(−Cs_{2}O) low-temperature water-gas shift catalyst evolves under various H_{2} partial pressures in the presence/absence of a Cs promoter during thermal activation has been investigated. Time-resolved XRD and spatially-resolved XRD-CT data were measured as a function of H_{2} concentration along a packed bed reactor to elucidate the importance of the zincite support and the effect of the promoter on Cu sintering mechanisms, dislocation character and stacking fault probability. The rate of Cu reduction showed a dependency on [Cs], [H_{2}] and bed height; lower [Cs] and higher [H_{2}] led to a greater rate of metallic copper nanoparticle formation. A deeper analysis of the XRD line profiles allowed for determining a greater edge character to the dislocations and subsequent stacking fault probability was also observed to depend on higher [H_{2}], Cu^{0} (and ZnO) crystallite sizes, increased [ZnO] (30 wt.%, sCZA) and lower temperature. The intrinsic activity of Cu/ZnO/Al_{2}O_{3} methanol synthesis catalysts has been intimately linked to the anisotropic behaviour of copper, and thus the presence of lattice defects; to the best knowledge of the authors, this study is the first instance in which this type of analysis has been applied to LT-WGS catalysts.

Type: Article
Title: Following Cu Microstructure Evolution in CuZnO/Al_{2}O_{3}(−Cs) Catalysts During Activation in H_{2} using in situ XRD and XRD-CT
Open access status: An open access version is available from UCL Discovery
DOI: 10.1002/cmtd.202200015
Publisher version: https://doi.org/10.1002/cmtd.202200015
Language: English
Additional information: © 2022 The Authors. Published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/).
Keywords: copper, defects, dislocations, microstructure, X-ray diffraction
UCL classification: UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL
URI: https://discovery.ucl.ac.uk/id/eprint/10153487
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