The geometric effect in palladium-gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis?
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.
Mazzone
Gloria
G
Dipartimento di Chimica, Università della Calabria, 87036, Arcavacata di Rende, Italy.
Rivalta
Ivan
I
Russo
Nino
N
Sicilia
Emilia
E