Alloy Catalyst in a Reactive Environment: The Example of Ag-Cu Particles for Ethylene Epoxidation

Simone Piccinin, Spiros Zafeiratos, Catherine Stampfl, Thomas W. Hansen, Michael Hävecker, Detre Teschner, Valerii I. Bukhtiyarov, Frank Girgsdies, Axel Knop-Gericke, Robert Schlögl, Matthias Scheffler

Research output: Contribution to journalJournal articleResearchpeer-review

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.
Original languageEnglish
JournalPhysical Review Letters
Volume104
Issue number3
Pages (from-to)035503
ISSN0031-9007
DOIs
Publication statusPublished - 2010
Externally publishedYes

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