Adsorbate induced reconstruction of cobalt surfaces

Coverage dependence adsorption of intermediates typical for syngas conversion is studied theoretically on fcc-cobalt surfaces. The fcc structure is relevant for cobalt particles active in this reaction. Emphasis on the analysis is on the thermodynamics of surface reconstruction as a function of surface adsorbate and surface coverage. An important result is the finding that only adsorbed carbon induced reconstruction of fcc-Co(1 1 1) to fcc-Co(1 0 0) as well as the clock reconstruction for the two surfaces.