Abstract. The phase pure, unsupported intermetallic compound PtZn is intrinsically active and selective for chemoselective hydrogenation of crotonaldehyde to crotyl alcohol in the absence of any support effects or auxiliary phases. During un-promoted reaction conditions, the PtZn surface becomes platinum enriched within the XPS sampling depth with respect to the 1:1 bulk stoichiometry. Cata…
Abstract. A detailed theoretical study is presented focusing on the role of halogens as promoters for the silvercatalyzed partial oxidation of ethylene to the epoxide (EO) and, in particular, aiming to understand why Cl is best. The study is based on periodic density functional theory calculations carried out for the reaction between ethene and atomic oxygen on the Ag(111) surface, taken as a …