Heterogeneous catalysts are highly complex materials with respect to both their composition
and structure. The reaction kinetics on their surfaces is known to depend sensitively on …

An overview of recent advancements in density functional theory modeling of particularly
reactive sites at noble and late transition metal surfaces is given. Such special sites include …

Silver is well known to show peculiar catalytic activities in several oxidation reactions. In the
present paper, we investigate the catalytic activity of silver catalysts toward CO-selective …

Temperature desorption spectroscopy (TDS) and infrared reflection absorption spectroscopy
(IRAS) were used to study CO adsorption on the terrace and step sites of Pt nanoparticles …

One of the main goals of surface science is the understanding of the elementary steps
occurring in catalytic reactions in the heterogeneous phase, in order to identify promoters …

Understanding the surface chemistry of solid catalysts is of great importance for the rational
design of structures of advanced catalysts; however, long-term challenges remain due to the …

The adsorption of benzotriazole—an outstanding corrosion inhibitor for copper—on Cu
(111), Cu (100), Cu (110), and low coordinated defects thereon has been studied and …

Nanostructured surfaces often exhibit adsorption properties that are distinctly different from
those of flat surfaces. This is the reason for the current interest in the adsorption at …

We present density functional theory calculations for atomic hydrogen interacting with a
stepped surface, the Pt (211) surface. The calculations have been performed at the …

We study the dissociative dynamics of O 2 molecules on the Ag (100) surface. Initially, the
im**ing molecules are either in the spin-triplet ground state or in the spin-singlet excited …