496 citations · 5k across the 44 of their papers we have counts for
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Scattering of rare-gas atoms at a metal surface: evidence of anticorrugation of the helium-atom potential-energy surface and the surface electron density
Max Petersen, Steffen Wilke, Paolo Ruggerone +2
Recent measurements of the scattering of He and Ne atoms at Rh(110) suggest that these two rare-gas atoms measure a qualitatively different surface corrugation: While Ne atom scatt…
Adlayer core-level shifts of admetal monolayers on transition metal substrates and their relation to the surface chemical reactivity
Dieter Hennig, Maria Veronica Ganduglia-Pirovano, Matthias Scheffler
Using density-functional-theory we study the electronic and structural properties of a monolayer of Cu on the fcc (100) and (111) surfaces of the late 4d transition metals, as well…
Potential Energy Surface for H_2 Dissociation over Pd(100)
Steffen Wilke, Matthias Scheffler
The potential energy surface (PES) of dissociative adsorption of H_2 on Pd(100) is investigated using density functional theory and the full-potential linear augmented plane wave (…
Theoretical study of O adlayers on Ru(0001)
Catherine Stampfl, Matthias Scheffler
Recent experiments performed at high pressures indicate that ruthenium can support unusually high concentrations of oxygen at the surface. To investigate the structure and stabilit…
Ab initio pseudopotential study of Fe, Co, and Ni employing the spin-polarized LAPW approach
Jun-Hyung Cho, Matthias Scheffler
The ground-state properties of Fe, Co, and Ni are studied with the linear-augmented-plane-wave (LAPW) method and norm-conserving pseudopotentials. The calculated lattice constant,…
Six-Dimensional Quantum Dynamics of Adsorption and Desorption of H_2 at Pd(100): Steering and Steric Effects
Axel Gross, Steffen Wilke, Matthias Scheffler
We report the first six-dimensional quantum dynamical calculations of dissociative adsorption and associative desorption. Using a potential energy surface obtained by density funct…