Alloy catalyst in a reactive environment: The example of Ag-Cu particles for 
ethylene epoxidation

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

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Alloy catalyst in a reactive environment: The example of Ag-Cu particles for ethylene epoxidation

MPG-Autoren

/persons/resource/persons22278

Zafeiratos, Spiros
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons22129

Stampfl, Catherine
Theory, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21599

Hansen, Thomas W.
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21590

Hävecker, Michael
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons22163

Teschner, Detre
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21410

Bukhtiyarov, Valerii I.
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21557

Girgsdies, Frank
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons21743

Knop-Gericke, Axel
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons22071

Schlögl, Robert
Inorganic Chemistry, Fritz Haber Institute, Max Planck Society;

/persons/resource/persons22064

Scheffler, Matthias
Theory, Fritz Haber Institute, Max Planck Society;

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Zitation

Piccinin, S., Zafeiratos, S., Stampfl, C., Hansen, T. W., Hävecker, M., Teschner, D., et al. (2010). Alloy catalyst in a reactive environment: The example of Ag-Cu particles for ethylene epoxidation. Physical Review Letters, 104(3): 035503. Retrieved from http://dx.doi.org/10.1103/PhysRevLett.104.035503.

Zitierlink: https://hdl.handle.net/11858/00-001M-0000-0010-F688-8

Zusammenfassung

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.