496 citations · 5k across the 44 of their papers we have counts for
7 papers · 1 filter
Highly site-specific H2 adsorption on vicinal Si(001) surfaces
P. Kratzer, E. Pehlke, M. Scheffler +2
Experimental and theoretical results for the dissociative adsorption of H_2 on vicinal Si(001) surfaces are presented. Using optical second-harmonic generation, sticking probabilit…
Adatom Diffusion at GaN (0001) and (000bar1) Surfaces
T. Zywietz, J. Neugebauer, M. Scheffler
The diffusion of Ga and N adatoms has been studied for the technologically relevant wurtzite (000bar1) and (0001) surfaces employing density-functional theory. Our calculations rev…
Ab initio calculation of the potential energy surface for the dissociation of H_2 on the sulfur covered Pd(100) surface
C. M. Wei, A. Gross, M. Scheffler
The presence of sulfur atoms on the Pd(100) surface is known to hinder the dissociative adsorption of hydrogen. Using density-functional theory and the full-potential linear augmen…
Oxygen adsorption on the Ru (10 bar 1 0) surface: Anomalous coverage dependence
S. Schwegmann, A. P. Seitsonen, V. De Renzi +7
Oxygen adsorption onto Ru (10 bar 1 0) results in the formation of two ordered overlayers, i.e. a c(2 times 4)-2O and a (2 times 1)pg-2O phase, which were analyzed by low-energy el…
Study of CO Oxidation over Ru(0001) at High Gas Pressures
C. Stampfl, M. Scheffler
Experiments performed at high gas partial pressures have demonstrated that the kinetics of the CO oxidation reaction at Ru(0001) is different and somewhat anomalous compared to tha…
Reconstruction Mechanism of FCC Transition-Metal (001) Surfaces
Vincenzo Fiorentini, Michael Methfessel, Matthias Scheffler
The reconstruction mechanism of (001) fcc transition metal surfaces is investigated using a full-potential all-electron electronic structure method within density-functional theory…