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

Journal Article · Fri Jan 22 00:00:00 EST 2010 · Physical Review Letters

DOI:https://doi.org/10.1103/PHYSREVLETT.104.035503· OSTI ID:21386758

Piccinin, Simone ^[1]; Zafeiratos, Spiros ^[2]; Stampfl, Catherine ^[1]; Hansen, Thomas W; Haevecker, Michael; Teschner, Detre; Girgsdies, Frank; Knop-Gericke, Axel; Schloegl, Robert; Scheffler, Matthias ^[2]; Bukhtiyarov, Valerii I ^[3]

---

1. School of Physics, University of Sydney, Sydney, New South Wales 2006 (Australia)
2. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin (Germany)
3. Boreskov Institute of Catalysis, SB RAS, Novosibirsk 630090 (Russian Federation)

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.

• OSTI ID: 21386758
• Journal Information: Physical Review Letters, Vol. 104, Issue 3; Other Information: DOI: 10.1103/PhysRevLett.104.035503; (c) 2010 The American Physical Society; ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CATALYSTS
COPPER
COPPER ALLOYS
EPOXIDES
OXYGEN
PARTICLES
PHOTOELECTRON SPECTROSCOPY
PRESSURE DEPENDENCE
SILVER
SILVER ALLOYS
SURFACES
TEMPERATURE DEPENDENCE
ALLOYS
ELECTRON SPECTROSCOPY
ELEMENTS
METALS
NONMETALS
ORGANIC COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
SPECTROSCOPY
TRANSITION ELEMENT ALLOYS
TRANSITION ELEMENTS