期刊
SURFACE SCIENCE
卷 604, 期 1, 页码 38-46出版社
ELSEVIER
DOI: 10.1016/j.susc.2009.10.017
关键词
Physical adsorption; Surface diffusion
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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