Nonadditive Effects in Metal Atom Clusters and Their Relation to Chemisorption. [EFECTOS NO-ADITIVOS EN CUMULOS DE ATOMOS METALICOS Y SU RELACION A LA QUIMISORCION.]
Por:
Novaro Octavio, Garcia-Prieto Jaime
Publicada:
1 ene 1981
Resumen:
A hypothesis concerning the potential prediction of adsorption energies of reactant molecules on metal clusters is analyzed. The prediction is based on the derivation of nonadditive effects derived by using quantum mechanical calculations of the electronic structure of the clusters. The model is applied to different metals (lithium, beryllium, palladium) as well as to various adsorbates (oxygen, ethylene, hydrogen), showing an excellent correlation for the adsorption energies as a function of the nonadditive insaturation of the catalytic clusters.