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CO oxidation on electrically charged gold nanotips

par McEwen, Jean-Sabin ;Gaspard, Pierre
Référence The Journal of Chemical Physics, 125, page (214707)
Publication Publié, 2006-12-06

Article révisé par les pairs

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Résumé :

We report a study of the oxidation of CO on a gold nanotip in the presence of high electrostatic fields. With the binding energies obtained using density functional theory as a function of the electric field, a simple field-dependent kinetic model based on the Langmuir-Hinshelwood mechanism is set up. We show that the dissociative adsorption of oxygen on gold happens only below a negative critical value of the electric field while the binding of CO on gold is enhanced for positive values. We explain the propagation of a wave observed in field ion microscopy experiments and predict that the oxidation of CO occurs on negatively charged gold clusters.