63 citations · 63 across the 1 of their papers we have counts for
10 papers
Theoretical Investigation of Water Formation on Rh and Pt Surfaces
Steffen Wilke, Vincent Natoli, Morrel H. Cohen
In this report we present a theoretical investigation of the potential-energy diagram for water formation from adsorbed O and H species on Rh(111) and Pt(111) surfaces. The study i…
Local Isoelectronic Reactivity of Solid Surfaces
Steffen Wilke, Morrel H. Cohen, Matthias Scheffler
The quantity w^N(r) = ( 1/ k^2 T_el)[partial n(r, T_el) / partial T_el]_(v(r),N) is introduced as a convenient measure of the local isoelectronic reactivity of surfaces. It charact…
Mechanism of Poisoning the Catalytic Activity of Pd(100) by a Sulfur Adlayer
Steffen Wilke, Matthias Scheffler
The modification of the potential-energy surface (PES) of H_2 dissociation over Pd(100) as induced by the presence of a (2x2) S adlayer is investigated by density-functional theory…
Six-Dimensional Quantum Dynamics of Adsorption and Desorption of H_2 at Pd(100): No Need for a Molecular Precursor Adsorption State
Axel Gross, Steffen Wilke, Matthias Scheffler
We report six-dimensional quantum dynamical calculations of dissociative adsorption and associative desorption of the system H_2/Pd(100) using an ab-initio potential energy surface…
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…
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 (…