Journal of the American Chemical Society, Vol.127, No.32, 11454-11459, 2005
Water production reaction on Rh(110)
By means of scanning tunneling microscopy and density functional theory calculations, we studied the water formation reaction on the Rh(110) surface when exposing the (2 x 1)p2mg-O structure to molecular hydrogen, characterizing each of the structures that form on the surface during the reaction. First the reaction propagates on the surface as a wave front, removing half of the initial oxygen atoms. The remaining 0.5 monolayers of 0 atoms rearrange in pairs, forming a c(2 x 4) structure. Second, as the reaction proceeds, areas of an intermediate structure with c(2 x 2) symmetry appear and grow at the expense of the c(2 x 4) phase, involving all the oxygen atoms present on the surface. Afterward, the c(2 x 2) islands shrink, indicating that complete hydrogenation occurs at their edges, leaving behind a clean rhodium substrate. Two possible models for the c(2 x 2) structure, where not only the arrangement but also the chemical identity is different, are given. The first one is a mixed H + O structure, while the second one resembles the half-dissociated water layer already proposed on other metal surfaces. In both models, the high local oxygen coverage is achieved by the formation of a hexagonal network of hydrogen bonds.