title: The geometric effect in palladium-gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis?
abstract: First-principles calculations support the hypothesis that the appropriate spacing between Pd monomers controls the catalytic activity of Pd/Au catalysts in the vinyl acetate formation only if a vinyl surface species is involved in the rate-determining step of the reaction, opening new questions on these relevant catalytic systems.
authors.affiliation: Dipartimento di Chimica, Università della Calabria, 87036, Arcavacata di Rende, Italy.
authors.forename: Gloria
authors.initials: G
authors.lastname: Mazzone
authors.forename: Ivan
authors.initials: I
authors.lastname: Rivalta
authors.forename: Nino
authors.initials: N
authors.lastname: Russo
authors.forename: Emilia
authors.initials: E
authors.lastname: Sicilia