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(111) to fcc-Co(100)
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