Catalysis Letters, Vol.88, No.1-2, 39-45, 2003
The adsorption of CO on the stepped Pt{211} surface: a comparison of theory and experiment
Experimental measurements and DFT calculations reveal that, as expected, CO adsorbs most strongly at the step edge of Pt{211}, with similar adsorption energies for bridged and atop CO on the step. Terrace sites are significantly less stable. In the light of our results, we attempt to provide explanations for previous disagreement between experiment and theory.