This review covers the structure of, and chemical reactions on, well-defined cerium oxide
surfaces. Ceria, or mixed oxides containing ceria, are critical components in automotive …

The diversity of the structure and composition of metal oxides allow these materials to have
a wide range of surface reactivities, and they are used extensively as catalysts for reactions …

Chemical kinetic modeling in heterogeneous catalysis is advancing in its ability to provide
qualitatively or even quantitatively accurate prediction of real-world behavior because of …

Catalytic conversion of CO2 to liquid fuels or valuable chemicals is an attractive alternative
to geological sequestration. In the present study, we applied density functional theory slab …

Despite the known efficacy of CeO2 as a promoter in alkaline hydrogen evolution reaction
(HER), the underlying mechanism of this effect remains unclear. CoS2, a pyrite‐type alkaline …

The interaction of atomic hydrogen and H2O with stoichiometric and partially reduced CeO2
(111) thin films deposited on a Cu (111) substrate was investigated by temperature …

Methanol has been considered as a “smart” molecule in studying the surface sites of metal
oxide catalysts. In this work, methanol was utilized to probe the nature of surface sites of …

Adsorption and protonation of CO2 on the (110) and (100) surfaces of γ-Al2O3 have been
studied using density functional theory slab calculations. On the dry (110) and (100) …

The exposure of reduced ceria, CeO2− x, to molecular oxygen results in the formation of
peroxo, O22−, and superoxo, O2−, species. The formation of diamagnetic peroxo species is …

Methanol decomposes on oxides, in particular CeO 2, producing either formaldehyde or CO
as main products. This reaction presents structure sensitivity to the point that the major …