Stability of formate species on beta-Ga2O3-(100)

M. CALATAYUD, C. MINOT, S. COLLINS, M. BALTANAS, A. BONIVARDI

Seoul, Korea

Congreso; 14th International Congress in Catalysis; 2008

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