Abstract
The influence of surface reconstruction on the kinetics of adsorption-desorption processes is studied through a simple two-position model by means of Monte Carlo simulation. Effects due to constraints on the translational motion of activated complexes and to heterogeneity are particularly investigated. Heterogeneity emerges as the most important factor to explain the huge variation of the preexponential Arrhenius parameter with coverage observed in the H/W(001) system. In the present model it is conjectured that heterogeneity originates from additional interactions of H with surface or sub-surface W atoms when hydrogen is adsorbed on sites where surface W atoms are farther apart due to reconstruction.
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Bustos, V., Zgrablich, G. & Zhdanov, V.P. The influence of surface reconstruction on the kinetics of adsorption-desorption processes: A Monte Carlo study of a simple model. Appl. Phys. A 56, 73–80 (1993). https://doi.org/10.1007/BF00351906
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DOI: https://doi.org/10.1007/BF00351906