CO oxidation on stepped-Pt (111) under electrochemical conditions: insights from theory and experiment
C Buso-Rogero, E Herrero, J Bandlow… - Physical Chemistry …, 2013 - pubs.rsc.org
Physical Chemistry Chemical Physics, 2013•pubs.rsc.org
The co-adsorption of CO and OH on two Pt stepped surfaces vicinal to the (111) orientation
has been evaluated by means of density functional theory (DFT) calculations. Focusing on
Pt (533) and Pt (221), which contain (100) and (111)-steps, respectively, we find that (111)-
steps should be more reactive towards CO oxidation than surfaces containing (100)-steps.
The DFT results are compared with electrochemical experiments on the CO adsorption and
oxidation on these vicinal surfaces.
has been evaluated by means of density functional theory (DFT) calculations. Focusing on
Pt (533) and Pt (221), which contain (100) and (111)-steps, respectively, we find that (111)-
steps should be more reactive towards CO oxidation than surfaces containing (100)-steps.
The DFT results are compared with electrochemical experiments on the CO adsorption and
oxidation on these vicinal surfaces.
The co-adsorption of CO and OH on two Pt stepped surfaces vicinal to the (111) orientation has been evaluated by means of density functional theory (DFT) calculations. Focusing on Pt(533) and Pt(221), which contain (100) and (111)-steps, respectively, we find that (111)-steps should be more reactive towards CO oxidation than surfaces containing (100)-steps. The DFT results are compared with electrochemical experiments on the CO adsorption and oxidation on these vicinal surfaces.
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