On the nature of trapping and desorption at high surface temperatures. Theory and experiments for the Ar–Pt(111) system

作者: Martin Head‐Gordon , John C. Tully , Charles T. Rettner , C. Buddie Mullins , Daniel J. Auerbach

DOI: 10.1063/1.460695

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摘要: We report molecular dynamics calculations and beam experiments on trapping desorption as a function of surface temperature initial gas conditions for the Ar–Pt(111) system. The process involves very rapid equilibration normal component incidence velocity but extremely slow accommodation parallel component. At high temperatures which residence time Ar is sufficiently short (e.g., roughly 40 ps at 273 K), trapped atoms desorb before their incident thermalized. Thus in usual sense complete with does not occur; instead these quasitrapped are characterized by full only In both simulations there range desorbing flux associated quasitrapping distinguishable from due to direct inelastic scattering. These results qualitatively reproduced simple model time‐varying distribution atoms, treats different components independently.

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