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The reactivity of CO2 and H2 at trapped electron sites at an oxide surface
C. A. Downing,A. A. Sokol,C. R. A. Catlow
Physical Chemistry Chemical Physics Pub Date : 07/30/2014 00:00:00 , DOI:10.1039/C4CP02610A
Abstract

We investigate the reactivity to H2 of a chemisorbed CO2 species at electron traps on oxide surfaces, taking the single electron F+ oxygen vacancy of the MgO(100) terrace as a model system. We find that multiple hydrogen addition steps form three interacting catalytic cycles, leading to the evolution of formaldehyde, methanol or methane. Our results have general implications for the reactivity of CO2 on metal oxides.

Graphical abstract: The reactivity of CO2 and H2 at trapped electron sites at an oxide surface
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