Dissociative chemisorption of O2 on Al(111): dynamics on a potential energy surface computed with a non-self-consistent screened hybrid density functional approach
Robert A. B. van Bree,
Nick Gerrits,
Geert-Jan Kroes
Abstract:Density functional theory (DFT) at the generalized gradient approximation (GGA) level is often considered the best compromise between feasibility and accuracy for reactions of molecules on metal surfaces. Recent work,...
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