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Density functional theory calculations have been applied to investigate the adsorption geometry of water overlayers on the NaCl(100) surface in the monolayer regime. Competition between H–H intermolecular repulsion and the attraction of the polar molecules to the surface ions results in the most stable structure having a 2×1 adsorption symmetry with an adsorption energy of 415meV. Overlayers of 1×1...
Results of classical trajectory calculations on the sticking of H + to the basal plane (0001) face of crystalline ice, at a surface temperature of 80K are presented. The calculations were performed for incidence energies ranging from 0.1 to 4.0eV, for normal and off-normal incidence. Significant reflection is predicted at low incidence energies and large incidence angles. This reflection is...
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