Journal
SURFACE SCIENCE
Volume 604, Issue 1, Pages 38-46Publisher
ELSEVIER
DOI: 10.1016/j.susc.2009.10.017
Keywords
Physical adsorption; Surface diffusion
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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.
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