Oxygen-Promoted Methane Activation on Copper

摘要: The role of oxygen in the activation C–H bonds methane on clean and oxygen-precovered Cu(111) Cu2O(111) surfaces was studied with combined situ near-ambient-pressure scanning tunneling microscopy X-ray photoelectron spectroscopy. Activation at 300 K “moderate pressures” only observed surfaces. Density functional theory calculations reveal that lowest energy barrier presence chemisorbed is related to a two-active-site, four-centered mechanism, which stabilizes required transition-state intermediate by dipole–dipole attraction O–H Cu–CH3 species. bond barriers are large due weak stabilization H CH3 fragments.