CO oxidation on stepped-Pt(111) under electrochemical conditions: insights from theory and experiment.

نویسندگان

  • C Busó-Rogero
  • E Herrero
  • J Bandlow
  • A Comas-Vives
  • Timo Jacob
چکیده

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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عنوان ژورنال:
  • Physical chemistry chemical physics : PCCP

دوره 15 42  شماره 

صفحات  -

تاریخ انتشار 2013