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New Insights into Ethene Epoxidation on Two Oxidized Ag{111} Surfaces Marie-Laure Bocquet,*, Angelos Michaelides, David Loffreda, Philippe Sautet, Ali Alavi, and
 

Summary: New Insights into Ethene Epoxidation on Two Oxidized Ag{111} Surfaces
Marie-Laure Bocquet,*, Angelos Michaelides, David Loffreda, Philippe Sautet, Ali Alavi, and
David A. King
Laboratoire de Chimie, UMR 5532, Ecole Normale Supe´rieure, Lyon, France, and Department of Chemistry,
UniVersity of Cambridge, Lensfield Road, Cambridge, CB2 1EW, U.K.
Received December 17, 2002; E-mail: mbocquet@ens-lyon.fr
Ethene epoxidation is an important heterogeneous catalysis
process that takes place selectively on silver catalysts. The
mechanism of this partial oxidation has been debated for many
years, and to date a detailed atomic level understanding of this
process has not been obtained. Much of the debate has centered on
the nature of the active O species.1,2 Recently, two stable O phases
on Ag{111} have been characterized with the scanning tunneling
microscope (STM) and density functional theory (DFT).3,4 One is
a low coverage (0.05 ( 0.02 ML) O adatom phase, and the other
is an Ag1.8O oxide overlayer. A DFT-derived phase diagram
predicted that the Ag1.8O oxide overlayer would be stable under
typical industrial conditions for epoxidation.4 However, the tem-
perature and pressure boundaries with the low coverage O adatom
phase were close, implying that both phases could easily coexist

  

Source: Alavi, Ali - Department of Chemistry, University of Cambridge

 

Collections: Chemistry