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Structure Sensitivity of CO2 Conversion over Nickel Metal Nanoparticles Explained by Micro-Kinetics Simulations

Sterk, E.B.; Nieuwelink, A.E.; Monai, M.; Louwen, J.N.; Vogt, E.T.C.; Filot, I.A.W.; Weckhuysen, B.M.

Journal article 2022 Open access
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Abstract

* and O* is the most critical elementary reaction step on this Ni(110) facet. The calculated activity of a range of Wulff-constructed nickel metal nanoparticles, accounting for varying ratios of the different facets and undercoordinated atoms exposed, reveals the same trend of activity-versus-nanoparticle size, as was observed in previous experimental work from our research group, thereby providing an explanation for the structure-sensitive nature of the Sabatier reaction.

Abstract from OpenAlex , checked 2026-06-29.

Citation

Sterk, E.B.; Nieuwelink, A.E.; Monai, M.; Louwen, J.N.; Vogt, E.T.C.; Filot, I.A.W.; Weckhuysen, B.M. Structure Sensitivity of CO2 Conversion over Nickel Metal Nanoparticles Explained by Micro-Kinetics Simulations. JACS Au 2022, 2 (12), 2714-2730. 10.1021/jacsau.2c00430

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