Changing the Activity of Electrocatalysts for Oxygen Reduction by Tuning the Surface Electronic Structure


  • This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences, US Department of Energy (contract no. DE-AC03–76SF00098), by The Danish Research Council through the NABIIT program, and by the Danish Center for Scientific Computing (grant no. HDW-1103-06). J.G. acknowledges a H. C. Ørsted Postdoctoral Fellowship from the Technical University of Denmark. N.M.M. acknowledges support from the US Department of Energy under contract W-31-109-ENG-38.


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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).