Efecto de la composición y estructura de superficies metálicas y bimetálicas de Cu, Pd y Rh, en la disociación catalítica de NaNO3 para la obtención de nitrógeno

Abstract

The industrial development of our societies get increased levels of contaminants present in the different sheds; elements such us heavy metals, inorganic salts, and organic matter are discharged without previous treatment in the different water resources. This research seeks to provide a possible explanation of what happens during the process of experimental catalysis for the dissociation of NaNO3, using models of non-defective metal surfaces of Cu, Pd and Rh (100), (110) and (111) and its bimetallic combinations. The possible adsorption sites tested for nitrate molecule were: linear, bridge, three-fold and four-fold, being more active for the N-O bond cleavage the sites: linear, followed by bridge, in the surfaces (100) and (111), in mono and bimetallic catalysts of Cu, Pd and Rh. Although the results only indicated partial dissociations of NaNO3 in the first instance; by adding a second molecule, either NO2- or NO led to the formation of N2, besides N2O and N2O2, which can be reaction intermediaries, as foreseen that hydrogenation could allow the formation of N2.