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 Manuscript DOI: 10.1039/D3FD00165B, PaperRobert van Bree, N Gerrits, Geert-Jan Kroes 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,... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Faraday Discuss. latest articles - January 27, 2024 Category: Chemistry Authors: Robert van Bree Source Type: research