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 coll isions on a subpicosecond scale via the Eley-Rideal mechanism producin g highly excited OH. The extent of reaction is strongly affected by su rface corrugation and product is shown to exhibit a vibrational popula tion 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 zon e interaction.