jz500509j_si_001.pdf (665.75 kB)
CO Oxidation Promoted by Gold Atoms Loosely Attached in AuFeO3– Cluster Anions
journal contribution
posted on 2015-12-17, 01:55 authored by Zhen Yuan, Xiao-Na Li, Sheng-Gui HeTime-of-flight
mass spectrometry experiment shows that upon the
interactions with carbon monoxide, the mass-selected AuFeO3– oxide cluster anions can evaporate neutral gold
atoms in a hexapole collision cell and oxidize CO into CO2 in an ion trap reactor. The computational studies identify that
the gold atom is loosely attached in the AuFeO3– cluster, and the different reaction channels can be attributed to
different cluster velocities. The structure of the AuFeO3– cluster is very flexible, and the approach of
CO induces significant geometrical and electronic structure changes
of AuFeO3–, which facilitates the exposure
of the positively charged gold atom to trap and oxidize CO. The CO
oxidation by the AuFeO3– cluster follows
the Au-assisted Mars–van Krevelen mechanism, in which the direct
participation of the surface lattice oxygen (O2–) is proposed.