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Recent experimental and theoretical developments in explaining adsorbate effects on electronic conduction in metals are critically reviewed. These effects are of more than academic interest, with applications in nanotechnology, chemical sensing, and tribology. The prevailing model treats the metal as a free-electron gas and the adsorbates as independent point scatterers. This model, first developed...
The density functional theory-based hybrid method B3LYP was used to study the interaction of the dioxymethylene species with the copper (111) surface. This species has been proposed experimentally as one possible intermediate in the oxidation of methanol catalysed by metal surfaces. The H 2 CO 2 species is very unstable, and this makes the experimental study too difficult. As far as...
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