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This computational study of carbon induced reconstruction of Co surfaces demonstrates that surface reconstruction is stable in the presence of a hydrogen at low coverage. These reconstructions can create new sites that allow for low activation energy CO dissociation. Carbon induced surface reconstruction of the edge of the fcc-Co(221) step surface will result in highly reactive step-edge sites. Such sites also provide a low activation energy for carbon to diffuse into the subsurface layer of cobalt.
Ouellette et al. (Thu,) studied this question.
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