Structure sensitivity of CO dissociation on Rh surfaces

Manos Mavrikakis, M. Baumer, H.J. Freund, Jens Kehlet Nørskov

Research output: Contribution to journalJournal articleResearchpeer-review


Using periodic self-consistent density functional calculations it is shown that the barrier for CO dissociation is similar to120 kJ/mol lower on the stepped Rh(211) surface than on the close-packed Rh(111) surface. The stepped surface binds molecular CO and the dissociation products more strongly than the flat surface, but the effect is considerably weaker than the effect of surface structure on the dissociation barrier. Our findings are compared with available experimental data, and the consequences for CO activation in methanation and Fischer-Tropsch reactions are discussed.
Original languageEnglish
Issue number3-4
Pages (from-to)153-156
Publication statusPublished - 2002

Fingerprint Dive into the research topics of 'Structure sensitivity of CO dissociation on Rh surfaces'. Together they form a unique fingerprint.

Cite this