Computational approaches to dissociative chemisorption on metals: towards chemical accuracy
GJ Kroes - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
We review the state-of-the-art in the theory of dissociative chemisorption (DC) of small gas
phase molecules on metal surfaces, which is important to modeling heterogeneous catalysis …
phase molecules on metal surfaces, which is important to modeling heterogeneous catalysis …
Atom-surface van der Waals potentials of topological insulators and semimetals from scattering measurements
The phenomenology of resonant scattering has been known since the earliest experiments
upon scattering of atomic beams from surfaces and is a means of obtaining experimental …
upon scattering of atomic beams from surfaces and is a means of obtaining experimental …
Dynamical effects as a window into van der Waals interactions in grazing-incidence fast He-atom diffraction from KCl (001)
In this paper we address, both experimentally and theoretically, the very grazing scattering
of He atoms off KCl (001) with incidence along the〈 100〉 channel. Our theoretical model …
of He atoms off KCl (001) with incidence along the〈 100〉 channel. Our theoretical model …
Anomalous KCl (001) surface corrugation from fast He diffraction at very grazing incidence
We present theoretical and experimental evidence of an anomalous surface corrugation
behavior in He-KCl (001) for incidence along⟨ 110⟩. When the He normal energy …
behavior in He-KCl (001) for incidence along⟨ 110⟩. When the He normal energy …
Transfer-matrix theory of surface spin-echo experiments with molecules
He 3 beam spin-echo experiments have been used to study surface morphology, molecular
and atomic surface diffusion, phonon dispersions, phason dispersions, and phase …
and atomic surface diffusion, phonon dispersions, phason dispersions, and phase …
Helium–Surface Interaction and Electronic Corrugation of Bi2Se3(111)
A Ruckhofer, A Tamtögl, M Pusterhofer… - The Journal of …, 2019 - ACS Publications
We present a study of the atom–surface interaction potential for the He–Bi2Se3 (111)
system. Using selective adsorption resonances, we are able to obtain the complete …
system. Using selective adsorption resonances, we are able to obtain the complete …
Prominent out-of-plane diffraction in helium scattering from a methyl-terminated Si (111) surface
M Del Cueto, AS Muzas, TJ Frankcombe… - Physical Chemistry …, 2019 - pubs.rsc.org
Due to their electrochemical and oxidative stability, organic-terminated semiconductor
surfaces are well suited to applications in, for example, photoelectrodes and electrochemical …
surfaces are well suited to applications in, for example, photoelectrodes and electrochemical …
[PDF][PDF] Hydrogen dissociation on metal surfaces: A semi-empirical approach
E Nour Ghassemi - Chemistry Letters, 2015 - scholarlypublications …
The accurate description of the dissociative chemisorption of a molecule on a metal surface
requires a chemically accurate description of the moleculesurface interaction. Previously, it …
requires a chemically accurate description of the moleculesurface interaction. Previously, it …