Faraday Discuss
Dissociative chemisorption of O2 on Al(111): Dynamics on a potential energy surface computed with a non-self-consistent screened hybrid density functional approach
Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039/D3FD00165B, PaperRobert van Bree, N Gerrits, Geert-Jan KroesDensity functional theory (DFT) at the generalized gradient approximation (GGA) level is often considered the best compromise between fe…