Best-of-both-worlds computational approaches to difficult-to-model dissociation reactions on metal surfaces

GJ Kroes, J Meyer - Chemical Science, 2024 - pubs.rsc.org
The accurate modeling of dissociative chemisorption of molecules on metal surfaces
presents an exciting scientific challenge to theorists, and is practically relevant to modeling …

[HTML][HTML] Hyperthermal velocity distributions of recombinatively-desorbing oxygen from Ag (111)

AC Dorst, REA Dissanayake, D Schauermann… - Frontiers in …, 2023 - frontiersin.org
This study presents velocity-resolved desorption experiments of recombinatively-desorbing
oxygen from Ag (111). We combine molecular beam techniques, ion imaging, and …

Coverage dependent dissociative adsorption of HCl on Au (111)

Q Shen, L Zhu, J Wu, W Dong, X Wang… - Chinese Journal of …, 2024 - pubs.aip.org
Dissociative adsorption of HCl on Au (111) has become one of unsolved puzzles in surface
chemistry. Despite tremendous efforts in the past years, various theoretical models still …