Selective propene epoxidation on immobilized au(6-10) clusters: the effect of hydrogen and water on activity and selectivity.
Epoxidation made easy: Subnanometer gold clusters immobilized on amorphous alumina result in a highly active and selective catalyst for propene epoxidation. The highest selectivity is found for gas mixtures involving oxygen and water, thus avoiding the use of hydrogen. Ab initio DFT calculations are used to identify key reaction intermediates and reaction pathways. The results confirm the high catalyst activity owing to the formation of propene oxide metallacycles. Al green, Au yellow, O red, and C gray.
Lee
Sungsik
S
Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439, USA.
Molina
Luis M
LM
López
María J
MJ
Alonso
Julio A
JA
Hammer
Bjørk
B
Lee
Byeongdu
B
Seifert
Sönke
S
Winans
Randall E
RE
Elam
Jeffrey W
JW
Pellin
Michael J
MJ
Vajda
Stefan
S