Catalytic Reactions on Model Gold Surfaces: Effect of Surface Steps and of Surface Doping

The adsorption energies and the activation energy barriers for a series of reactions catalyzed by gold surfaces and obtained theoretically through density functional theory (DFT) based calculations were considered to clarify the role of the low coordinated gold atoms and the role of doping in the ca...

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Veröffentlicht in:	Catalysts 2011-11, Vol.1 (1), p.40-51
Hauptverfasser:	Fajín, José L. C., Cordeiro, Maria Natália D. S., Gomes, José R. B.
Format:	Artikel
Sprache:	eng
Schlagworte:	Catalysts Chemical reactions
Online-Zugang:	Volltext
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