Stability of formate species on b-Ga2O3

M. CALATAYUD; C. MINOT; S.E. COLLINS; M.A. BALTANÁS; A.L. BONIVARDI

Seoul, Corea

Congreso; 14th International Congress on Catalysis; 2008

Gallium oxide has proved to enhance the performance of metal catalysts for the production of H2 formethanol steam reforming, the methanol synthesis from selective hydrogenation of CO2 and the water gas shift reactionThe formate species as key intermediates in the previous reactions has been reported, although their role is still amatter of debate. In this work, a combined theoretical (DFT) and experimental (infrared spectroscopy) approach hasbeen carried out to characterize the formation of such formate species over the gallia surface. The stability of saidspecies and their vibrational mode assignments are discussed in detail throughout the work.