Formation of carbonaceous deposits via decomposition of reactants on palladium catalysts has long been known to strongly affect the catalytic activity and selectivity.Recently, interest in the carbon deposition as a key event in Pd-catalysedhydrogenation and related processes has been drastically increased again. Thishas been triggered by the newly recognized conceptual importance of carbondeposits for tailoring structure and composition of active sites exposed on Pdcatalysts under reaction conditions.Our density-functional studies address the formation of carbon species and their effect on the reactivity of Pd nanoparticles representative for particles typical in supported model catalysts. We consider how the C-O bonds break during methanol decomposition on Pd nanocrystallites leading to carbonaceous deposits, influence of the latter on adsorption properties and surface reactivity of the catalysts as well ascrucial role of Pd nanoparticle edges in the carbon incorporation in the subsurface.

Carbon deposits on Pd catalysts modeled by nanoparticles

240th National Meeting (2010)

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