INVESTIGADORES
COLLINS Sebastian Enrique
congresos y reuniones científicas
Título:
Stability of Formate Species on b-Ga2O3
Autor/es:
M. CALATAYUD, C. MINOT, S.E. COLLINS, M.A. BALTANÁS, A.L. BONIVARDI
Lugar:
La Plata, Argentina
Reunión:
Congreso; XV Congreso Argentino de Catálisis y 4to Congreso del MERCOSUR; 2007
Institución organizadora:
Comité Nacional de Catálsis
Resumen:
Gallia (gallium sexquioxide) is a technologically promising material in ceramics, electronic devices, gas-sensing and catalytic processes. Particularly, gallia has proved to enhance the performance of metal catalysts for the production of hydrogen from methanol steam reforming (SRM), the methanol synthesis from selective hydrogenation of carbon dioxide and the water gas shift reaction. The presence of 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 theoreticaland experimental approach has been carried out in order to characterize the formation of such formate species over the gallium oxide surface. Infrared spectroscopy experiments of CO adsorption over H2 (or D2) pretreated b-Ga2O3 revealed the formation of several formate species.The b-Ga2O3 (100) surface was modeled by means of periodic DFT calculations. The stability of said species and their vibrational mode assignments are discussed in detail.
