Efficient Eley-Rideal reactions of H atoms with single Cl adsorbates on Au(111) |
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Authors: | Lemoine Didier Quattrucci Joseph G Jackson Bret |
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Affiliation: | Laboratoire de Physique des Lasers, Atomes et Molécules, UMR CNRS 8523, Centre d'Etudes et de Recherches Lasers et Applications, Université de Lille 1, Batiment P5, 59655 Villeneuve d'Ascq CEDEX, France. |
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Abstract: | Density functional theory is used to construct an interaction model for H atoms with Cl over Au(111). Single-adsorbate Eley-Rideal reactions are investigated with quantum and quasiclassical methods. The reaction cross sections, amounting to 2-3 A(2), are much larger than for HD recombinations on metals. This can be traced to the adsorbed Cl being relatively far above the surface, the H-Cl interaction prevailing over the H-substrate attraction for a sizable range of impact parameters. |
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