Published in
Royal Society of Chemistry, Nanoscale, 14(13), p. 6902-6915, 2021
DOI: 10.1039/d0nr08735a
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A combined theoretical/experimental study highlighting the formation of carbides on Ru nanoparticles during CO hydrogenation
Journal article published in 2021 by
Ionut-Tudor Moraru 
,
Luis M. Martínez-Prieto ,
Yannick Coppel ,
Bruno Chaudret ,
Lucy Cusinato ,
Iker del Rosal,
Romuald Poteau
,
Luis M. Martínez-Prieto ,
Yannick Coppel ,
Bruno Chaudret ,
Lucy Cusinato ,
Iker del Rosal,
Romuald Poteau
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Abstract
According to advanced 13C MAS NMR experiments and DFT investigations of multi-step pathways as well as DFT-based NMR assignment of experimental spectra, it is shown that carbide formation can occur on ruthenium NPs during CO bond cleavage.