"Selective hydrogenation of 1,3-butadiene catalyzed by a single Pd atom anchored on graphene: the importance of dynamics† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8sc00776d"

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Selective hydrogenation of 1,3-butadiene catalyzed by a single Pd atom anchored on graphene: the importance of dynamics† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8sc00776d

The active-site structure, reaction mechanism, and product selectivity of the industrially important selective hydrogenation of 1,3-butadiene are investigated using first principles for an emerging single-atom Pd catalyst anchored on graphene. Click to show full abstract

Keywords: single atom; selective hydrogenation; anchored graphene; hydrogenation butadiene

Journal Title: Chemical Science
Year Published: 2018

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