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Supported Molybdenum Carbide Nanoparticles as Hot Hydrogen Reservoirs for Catalytic Applications

Research areaChemistry and Materials Science and Technology
TitleSupported Molybdenum Carbide Nanoparticles as Hot Hydrogen Reservoirs for Catalytic Applications
Publication TypeJournal Article
Publication year2020
AuthorsFigueras, M., R. A. Gutierrez, F. Vines, P. J. Ramirez, J. A. Rodriguez, and F. Illas
JournalJOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume11
Number19
Pages8437-8441
Type of ArticleArticle
Abstract

Transition metal carbides have been long proposed as replacements for expensive Pt-group transition metals as heterogeneous catalysts for hydrogenation reactions, featuring similar or superior activities and selectivities. Combining experimental observations and theoretical calculations, we show that the hydrogenating capabilities of molybdenum carbide can be further improved by nanostructuring, as seen on MoCy nanoclusters anchored on an inert Au(111) support, revealing a more prominent role of Mo active sites in the easier H-2 adsorption, dissociation, H adatom diffusion, and elongated chemisorbed H-2 Kubas moieties formation when compared to the bulk delta-MoC(001) surface, thus explaining the observed stronger H-2 interaction and the larger formation of CHx species, making these systems ideal to catalyze hydrogenation reactions.

DOI10.1021/acs.jpclett.0c02608