The effect of surface symmetry on the adsorption energetics of SCH3 on gold surfaces studied using Density Functional Theory

Elsevier Science Bv
Publication Type:
Journal Article
Surface Science, 2005, 580 (1-3), pp. 19 - 29
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Adsorption of methanethiol onto the three, high symmetry gold surfaces has been studied at the density functional level using a linear combination of atomic orbitals approach. In all three cases the bond energy between the thiolate radical and surface is
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