Reaction of gas phase atomic oxygen with chemisorbed hydrogen atoms on a tungsten surface

Classical trajectory studies have been carried out for the reaction of gas phase atomic O with H atoms chemisorbed on a corrugated tungsten surface. Most reactive events are found to occur in single-impact collisions on a subpicosecond scale via the Eley-Rideal mechanism producing highly excited OH. The extent of reaction is strongly affected by surface corrugation and product is shown to exhibit a vibrational population inversion. The direct coupling of the reaction zone to the solid atom chain consisting of nine atoms is considered to obtain consistent results. A LEPS potential energy surface is used for the reaction zone interaction.