Sulfite-like species formation on Cr2O3 after SO2 adsorption

V.A.RANEA; E.E. MOLA; S.HERDANDEZ; S. MEDINA; I. D. CORIA; I. M. IRURZUN

Montevideo

Congreso; XII Reunión de la SUF.; 2011

The adsorption of sulfur dioxide (SO2) on polycrystalline Cr2O3 was experimentally investigated using temperature-programmed desorption (TPD). The chemisorption of SO2 on the (0001) surfacewas also studied using theoretical methods. Different adsorption geometries were explored for SO2 adsorption on the -Cr2O3(0001) surface. Two similar adsorption configurations were found to be the most stable with chemisorption energies of -3.09 and -2.79 eV/molecule. In both calculated stable adsorption configurations the appareance of sulfite-like species is predicted on the (0001) surface after adsorption.