التفاصيل البيبلوغرافية
| العنوان: |
Temperature dependence of chlorine adsorption on argon surfaces in the zero coverage limit: A molecular dynamics study. |
| المؤلفون: |
Trayanov, A. L., Prisant, M. G. |
| المصدر: |
Journal of Chemical Physics; 2/1/1991, Vol. 94 Issue 3, p2352, 12p |
| مصطلحات موضوعية: |
MOLECULAR dynamics, TEMPERATURE, ADSORPTION (Chemistry) |
| مستخلص: |
Molecular dynamics calculations have been carried out on the adsorption of chlorine on an Ar(111) surface. The calculations have been performed at the zero coverage limit for a single chlorine molecule impinging on the surface. The dependence of adsorption dynamics on the temperature of the argon solid has been investigated. At 15 K, no diffusional motion of the halogen is seen after it lands on the surface: it remains fully exposed on the surface. Motion of the halogen consists of an up and down vibrational motion as well as a hindered rotational motion. At 60 K, the halogen executes diffusional motion on the surface after landing: it is neither trapped during the 50 ps time period of our simulations nor does it escape the surface. At 70 K, a temperature close to the melting point of the solid, vacancies are created in the upper most level of the solid. These vacancies and initial diffusional motion on the surface permit inclusion of the halogen adsorbate into the first layer of the argon. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
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