Hydrogen-Assisted Dissociation of Co on a Catalyst Surface

by Blyholder, G.; Lawless, M.

Molecular orbital calculations for the dissociation of CO on the (100) face of a Fe12 cluster indicate that the experimentally observed acceleration of CO dissociation on metal catalysts by hydrogen, which has been suggested to occur by several different mechanisms, most likely occurs by the attack of a hydrogen atom on the carbon atom of adsorbed CO.