Abstract
By introducing finite diffusion of absorbed hydrogen atoms, adsorption, desorption and reaction patterns in H 2O formation on the Pt(1 1 1) surface were simulated with the kinetic Monte Carlo (KMC) method. The results of the finite diffusion model proposed, show clearly the variation of OH desorption, which has not been observed in both the infinite diffusion model and the mean field theory. The simulation results indicate that diffusion of hydrogen atoms on the surface is essential for the reaction pattern, as the total coverage is low, and OH desorption occurs above 900 K at the value of the partial pressure ratio between hydrogen and oxygen molecules, α = P H 2 / P O , about 0.08.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
