| Abstract
| - The adsorption and reaction of carbon atoms on the Fe5C2(001) surface have been computed at four different levels of density functional theory. The formation of surface carbon clusters, carbon chains, and graphitic carbon is favored thermodynamically, and graphitic carbon is the final surface product. With hydrogen available on the surface, however, surface carbon hydrogenation (C + H) is more favored kinetically over its coupling reaction (C + C), and surface CH should be the most favorable species.
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