Busó-Rogero, Carlos, Herrero, Enrique, Bandlow, Jochen, Comas Vives, Aleix, Jacob, Timo
CO oxidation on stepped-Pt(111) under electrochemical conditions: insights from theory and experiment
Physical Chemistry Chemical Physics. 2013, 15: 18671-18677. doi:10.1039/C3CP53282H
URI: http://hdl.handle.net/10045/38762
DOI: 10.1039/C3CP53282H
ISSN: 1463-9076 (Print)
Abstract: 
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.
Keywords:CO oxidation, Pt(111), Electrochemical conditions, Density functional theory
Royal Society of Chemistry
info:eu-repo/semantics/article