2 papers
mtrl-th1995
A direct pathway for sticking/desorption of H on Si(100)
P. Kratzer, B. Hammer, J. K. Norskov
The energetics of H interacting with the Si(100) surface is studied by means of {\em ab initio} total energy calculations within the framework of density functional theory. We…
mtrl-th1994
High-dimensional quantum dynamics of adsorption and desorption of H at Cu(111)
A. Gross, B. Hammer, M. Scheffler +1
We performed high-dimensional quantum dynamical calculations of the dissociative adsorption and associative desorption of hydrogen on Cu(111). The potential energy surface (PES) is…