解吸
分子动力学
产量(工程)
碰撞
单层
原子物理学
化学
基质(水族馆)
分子束
材料科学
化学物理
吸附
物理化学
计算化学
物理
纳米技术
分子
地质学
冶金
海洋学
计算机安全
有机化学
计算机科学
作者
D. Kulginov,Mats Persson,C. T. Rettner
摘要
We have performed a detailed study of collision-induced desorption (CID) of Xe from Pt(111) by hyperthermal Ar atoms striking the surface. The study combines extensive molecular beam experiments with detailed molecular dynamics calculations in an effort to quantify fully and to understand in detail the dynamics of this model system. The calculations employ accurate semi-empirical potential energy functions for all relevant interatomic interactions. We have characterized the CID process with respect to incidence energy, Ei, angle, θi, and substrate surface temperature, Ts, for both the isolated adsorbate and the Xe/Pt(111) monolayer. The generally good agreement of the calculated results such as the desorption yield and desorbate energy and angular distributions with the experimental measurements demonstrates that the calculations capture the most important aspects of the CID processes.
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