The Adsorption of CO on the Stepped Pt{211} Surface: A Comparison of Theory and Experiment |
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| Authors: | S.C. Creighan R.J. Mukerji A.S. Bolina D.W. Lewis W.A. Brown |
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| Affiliation: | (1) Department of Chemistry, University College London, 20 Gordon Street, London, WC1H 0AJ, UK |
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| Abstract: | 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. |
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| Keywords: | Pt{211} CO adsorption density function theory |
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