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 …

As one of the most significant rare earth oxides, ceria (CeO 2) has attracted much interest
over the past decades. In catalysis, 1, 2 CeO2 serves as a widely used support material and …

Stable and efficient hydrogen production has always been the focus of industry, and steam
reforming of ethanol (SRE) is one of the most robust, renewable and cheap technologies. To …

We examine a large number of DFT calculations regarding the chemistry of oxide surfaces
and show that their qualitative conclusions can be predicted by using a few rules derived …

Understanding the interaction of small metal clusters and isolated atoms with oxide surfaces
is crucial in order to rationalize the properties of heterogeneous catalysts composed of sub …

Gold ([Xe] 4f 14 5d 10 6s 1) is one of the most ancient themes of investigation in science and
arts, and its renaissance now leads to an exponentially increasing number of publications …

We investigate methane activation over a range of metal-oxide surfaces. Density functional
theory calculations are used to correlate the C–H bond activation energy to the surface …

The results of core-level photoemission indicate that Ni-CeO2 (111) surfaces with small or
medium coverages of nickel are able to activate methane at 300 K, producing adsorbed CH …

Substitutional transition metal dopants in the cerium oxide surface can alter the surface
reducibility and catalytic activity for hydrocarbon conversion. Density functional theory (DFT+ …

The outstanding catalytic properties of cerium oxides rely on the easy Ce3+↔ Ce4+ redox
conversion, which however constitutes a challenge in density functional based theoretical …