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Keywords:

  • alloys;
  • density functional calculations;
  • electrochemistry;
  • oxygen;
  • platinum
Thumbnail image of graphical abstract

Going platinum: The theoretical description of electrocatalytic phenomena is extremely challenging. A simple, density functional theory based model has been developed that is able to give a semiquantitative description of the reaction kinetics for the electrocatalytic oxygen reduction on several platinum binary alloys, Pt3M (see graph).