Spin-polarized density functional theory calculations have been performed to investigate the formation of CH x species from CO dissociation on the double-stepped Co(0001) surface. It is found that the steps not only favor CO dissociation but also are an advantage over CO and C/O hydrogenation. Furthermore, the step with the hcp and fcc sites in alternate arrangement is more active than the other consisting of the 4-fold site. Under realistic Fischer−Tropsch reaction conditions, surface CH x O are the most favored intermediates; and surface CH x are formed from CH x O dissociation, while the direct CO dissociation with carbide intermediate is not competitive.
No takes yet. Share an insight, caveat, or question.
Huo et al. (2008) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: