The dissociative adsorption of molecular hydrogen on silicon is considered to be the
prototype for an activated chemical reaction at a semiconductor surface. The covalent nature …

More than five years have passed since the first edition of this book was published. Surface
science is still a very active field of research, and the fact that the Nobel Prize 2007 in …

Ab initio total-energy calculations based on electronic structure theory have tremendously
enlarged our knowledge about the geometrical and electronic structure of clean and …

Owing to the development of efficient algorithms and the improvement of computer power it
is now possible to map out potential energy surfaces (PESs) of reactions at surfaces in great …

Using lasers to induce and probe surface processes has the advantages of quantum state
specificity, species selectivity, surface sensitivity, fast time-resolution, high frequency …

Both cluster and extended slab models for the bare Si (001) surface and for acetylene
chemisorbed on that surface were studied by various theoretical methods. Our calculations …

Optical second-harmonic generation (SHG) from silicon surfaces may be resonantly
enhanced by dangling-bond-derived surface states. The resulting high sensitivity to …

Three different clusters, Si 9 H 12, Si 15 H 16, and Si 21 H 20, are used in density-functional
theory calculations in conjunction with ab initio pseudopotentials to study how the energetics …

The abstraction kinetics for atomic hydrogen (Hat) removal of chemisorbed D and atomic
deuterium (Dat) removal of chemisorbed H are studied on single crystal Si surfaces. The …

Atomic hydrogen (deuterium) adsorbed onto the diamond C (111) surface has been studied
by infrared-visible sum-frequency-generation spectroscopy. Monohydride termination of H/C …