title: Alloy catalyst in a reactive environment: the example of ag-cu particles for ethylene epoxidation.
abstract: Combining first-principles calculations and in situ photoelectron spectroscopy, we show how the composition and structure of the surface of an alloy catalyst is affected by the temperature and pressure of the reagents. The Ag-Cu alloy, recently proposed as an improved catalyst for ethylene epoxidation, forms a thin Cu-O surface oxide, while a Ag-Cu surface alloy is found not to be stable. Several possible surface structures are identified, among which the catalyst surface is likely to dynamically evolve under reaction conditions.
authors.affiliation: School of Physics, The University of Sydney, Sydney, New South Wales 2006, Australia.
authors.forename: Simone
authors.initials: S
authors.lastname: Piccinin
authors.forename: Spiros
authors.initials: S
authors.lastname: Zafeiratos
authors.forename: Catherine
authors.initials: C
authors.lastname: Stampfl
authors.forename: Thomas W
authors.initials: TW
authors.lastname: Hansen
authors.forename: Michael
authors.initials: M
authors.lastname: Hävecker
authors.forename: Detre
authors.initials: D
authors.lastname: Teschner
authors.forename: Valerii I
authors.initials: VI
authors.lastname: Bukhtiyarov
authors.forename: Frank
authors.initials: F
authors.lastname: Girgsdies
authors.forename: Axel
authors.initials: A
authors.lastname: Knop-Gericke
authors.forename: Robert
authors.initials: R
authors.lastname: Schlögl
authors.forename: Matthias
authors.initials: M
authors.lastname: Scheffler