Investigation of the interaction of some astrobiological molecules with the surface of a graphite (0 0 0 1) substrate. Application to the CO, HCN, H2O and H2CO molecules |
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| Authors: | Azzedine Lakhlifi John P Killingbeck |
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| Institution: | a Institut Utinam - UMR CNRS 6213 Université de Franche-Comté, Observatoire de Besançon, 41 bis avenue de l’Observatoire, BP 1615, 25010 Besançon Cedex, France
b Mathematics Centre, Loten Building, University of Hull, Hull HU6 7RX, UK |
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| Abstract: | 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. |
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| Keywords: | Physical adsorption Surface diffusion |
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