Investigation of the interaction of some astrobiological molecules with the surface of a graphite (0001) substrate. Application to the CO, HCN, H2O and H2CO molecules

SURFACE SCIENCE

卷:604

Article

Lakhlifi, Azzedine¹  Killingbeck, John P.² 

[1] Univ Franche Comte, Observ Besancon, CNRS, Inst Utinam,UMR 6213, F-25010 Besancon, France

[2] Univ Hull, Ctr Math, Kingston Upon Hull HU6 7RX, N Humberside, England

关键词: Physical adsorption;    Surface diffusion;   

DOI  :  10.1016/j.susc.2009.10.017

来源: Elsevier

【 摘 要 】

Detailed interaction potential energy calculations are performed to determine the potential energy surface experienced by the molecules CO, HCN, H2O and H2CO, when adsorbed on the basal plane (0 0 0 1) of graphite at low temperatures. The potential energy surface is used to find the equilibrium site and configuration of a molecule on the surface and its corresponding adsorption energy. The diffusion constant associated with molecular surface diffusion is calculated for each molecule. (C) 2009 Elsevier B.V. All rights reserved.

【 授权许可】

Free