Estudio experimental y teórico de la adsorción de metanol sobre beta óxido de galio

MARÍA M. BRANDA; NORBERTO J. CASTELLANI; SEBASTIÁN E. COLLINS; MIGUEL A. BALTANÁS; ADRIAN L. BONIVARDI

Santa Fe, Argentina

Congreso; XIV Congreso Argentino de Catálisis; 2005

The methanol adsorption on the b-Ga2O3 surface from experimental (FT-IR) and theoretical (DFT) sources has been studied. Both results reasonably agree and they are supplementaries. From the IR and DFT results the methanol adsorption is produced by a hydrogen bond between the alcoholic methanol hydrogen and the surface O atom. The theoretical calculations also indicate the ionic bond formation between the alcoholic O atom and a substrate Ga atom. The b-Ga2O3 surface with different sites, tetrahedrical and octahedrical gallium atoms, and different number of oxygen vacancies was studied. Every cases show a reactive surface to the methanol adsorption. On the other hand, there are evidences that the methanol dissociative chemisorption on this oxide is an activated process.