A new aspect of heterogeneous catalysis: Highly reactive cis-(NO)2 dimer and Eley-Rideal mechanism for NO-CO reaction on a Co-dimer/γ-alumina catalyst

A series of density functional calculations reveals that an Eley-Rideal mechanism between cis-NO dimer and gas-phase CO explains a new catalytic phenomenon, 'surface catalytic reactions assisted by gas phase molecules' on a Co2+-ensemble/γ-Al2O3 catalyst, where the cis-NO dimeric species gives much higher reactivity with CO than conventional gem-dinitrosyl species through the 2π∗-2π∗ bonding formation.