As a much-enriched supplement to the previous review paper entitled the “Effective work
functions for ionic and electronic emissions from mono-and polycrystalline surfaces”[Prog …

Based on detailed theoretical analyses, we present, for the first time, direct evidence that the
significant interface dipole commonly observed for atoms and molecules physisorbed on …

The surface of a typical laboratory single crystal has about 1015 surface atoms or adsorption
sites, respectively, and is thus far out of reach for conventional NMR experiments using …

Spin-resolving techniques in photoemission are presently attracting wide interest because
they can provide a detailed insight into specific aspects of electronic structure and the …

In the present paper we report in detail the results of our first-principles investigations of
Xe/metal adsorption systems which were briefly presented in an earlier publication. We …

The wave functions of electronic surface states are localized near the surface of solids.
Therefore surface states are well suited to monitor the physical and chemical state of the …

It was recently found from ab initio investigations [JLF Da Silva, Phys. Rev. Lett. 90, 066104
(2003)] that polarization effects and the site dependence of the Pauli repulsion largely …

We have determined differential sticking coefficients for a monoenergetic nozzle beam of
hydrogen on Pd (111) and Pd (110). In particular the energy dependence and the angular …

Excited state electron transfer at the adsorbate/metal interface represents a key step in
molecular electronic devices. The dynamics of such processes are governed by ultrafast …

The adsorption of nitrous oxide N2O on the Pd (110) surface has been studied and
characterized using density-functional theory. We found that N2O binds weakly to the …