Recent studies dealing with the structural, electronic, chemical and catalytic properties of
well-defined bimetallic surfaces are reviewed. LEED and STM show that two metals …

We review basic and advanced concepts needed for the correct analysis of XPS features.
We place these concepts on rigorous foundations and explore their physical and chemical …

Physical Chemistry of the Academy of Sciences of the GDR where he established theoretical
research on intermolecular interactions in adsorption and catalytic processes. His favorite …

In organics-based (opto) electronic devices, the interface dipoles formed at the
organic/metal interfaces play a key role in determining the barrier for charge (hole or …

This issue collects reviews on van der Waals (vdW) molecules. Our classification of the
adsorption of molecules on different types of surfaces follows that for vdW systems inthe gas …

Controlling the selectivity of CO2 hydrogenation by catalysis is a fundamental challenge.
This study examines the interrelation between active sites and reaction pathways in Ni …

Transition-metal carbonyl complexes, M (CO) x, are cornerstones of modern coordination
chemistry and organometallic chemistry. 1 Coordinatively unsaturated transition-metal …

A comprehensive review of different mechanisms which contribute to the chemical shifts of
core-level binding energies, BEs, is made. A principle focus is on showing how the …

Gas sensor devices have traditionally comprised thin films of metal oxides, with tin oxide,
zinc oxide and indium oxide being some of the most common materials employed. With the …

The computational characterization of inorganic–organic hybrid interfaces is arguably one of
the technically most challenging applications of density functional theory. Due to the …