Molecular oxygen adsorption on electropositive nano gold tips

Frederik Tielens (1) , J Andres , Td Chau , Tv De Bocarme , N Kruse , P Geerlings

1 Universitat Jaume I = Jaume I University

The effect of atom coordination and influence of an external electrostatic field on binding and dissociation energies of molecular oxygen on a nano modified An surfaces are investigated. Weak O and O-2 adsorption are found in our models. A considerable decrease of the dissociation energy of O-2 was found when adsorbed on small gold clusters or gold pyramids. It is concluded that in the presence of an electric field no dissociation of O-2 will occur in our model. This result is in agreement with field ion microscopy (FIM) and field electron microscopy (FEM) experiments, where no dissociation of O-2 is encountered. (c) 2006 Elsevier B.V. All rights reserved.

Domaines: Matériaux

Frederik Tielens, J Andres, Td Chau, Tv De Bocarme, N Kruse, et al.. Molecular oxygen adsorption on electropositive nano gold tips. Chemical Physics Letters, 2006, 421 (4-6), pp.433-438. ⟨10.1016/j.cplett.2006.02.006⟩. ⟨hal-01361380⟩