title: Tuning the metal-support interaction by structural recognition of cobalt-based catalyst precursors.
abstract: Controlling the nature and size of cobalt(II) polynuclear precursors on γ-alumina and silica-alumina supports represents a challenge for the synthesis of optimal cobalt-based heterogeneous catalysts. By density functional theory (DFT) calculations, we show how after drying the interaction of cobalt(II) precursor on γ-alumina is driven by a structural recognition phenomenon, leading to the formation of an epitaxial Co(OH)2 precipitate involving a Co-Al hydrotalcite-like interface. On a silica-alumina surface, this phenomenon is prevented due to the passivation effect of silica domains. This finding opens new routes to tune the metal-support interaction at the synthesis step of heterogeneous catalysts.
authors.affiliation: IFP Energies nouvelles BP3, 69360 Solaize (France).
authors.forename: Kim
authors.initials: K
authors.lastname: Larmier
authors.affiliation: IFP Energies nouvelles BP3, 69360 Solaize (France). celine.chizallet@ifpen.fr.
authors.forename: Céline
authors.initials: C
authors.lastname: Chizallet
authors.affiliation: IFP Energies nouvelles BP3, 69360 Solaize (France).
authors.forename: Pascal
authors.initials: P
authors.lastname: Raybaud
keywords: adsorption; catalyst preparation; cobalt; density functional calculations; γ-alumina