Catalysis Letters

, Volume 141, Issue 7, pp 909–913

Atomic-Scale Modeling of Particle Size Effects for the Oxygen Reduction Reaction on Pt

Authors

    • Center for Atomic-scale Materials Design, Department of PhysicsTechnical University of Denmark
    • Center for Interface Science and CatalysisSLAC National Accelerator Laboratory
  • J. Greeley
    • Center for Nanoscale MaterialsArgonne National Laboratory
  • J. Rossmeisl
    • Center for Atomic-scale Materials Design, Department of PhysicsTechnical University of Denmark
  • J. K. Nørskov
    • Center for Interface Science and CatalysisSLAC National Accelerator Laboratory
    • Department of Chemical EngineeringStanford University
Article

DOI: 10.1007/s10562-011-0637-8

Cite this article as:
Tritsaris, G.A., Greeley, J., Rossmeisl, J. et al. Catal Lett (2011) 141: 909. doi:10.1007/s10562-011-0637-8

Abstract

We estimate the activity of the oxygen reduction reaction on platinum nanoparticles of sizes of practical importance. The proposed model explicitly accounts for surface irregularities and their effect on the activity of neighboring sites. The model reproduces the experimentally observed trends in both the specific and mass activities for particle sizes in the range between 2 and 30 nm. The mass activity is calculated to be maximized for particles of a diameter between 2 and 4 nm. Our study demonstrates how an atomic-scale description of the surface microstructure is a key component in understanding particle size effects on the activity of catalytic nanoparticles.

Graphical Abstract

 
https://static-content.springer.com/image/art%3A10.1007%2Fs10562-011-0637-8/MediaObjects/10562_2011_637_Figa_HTML.gif

Keywords

ElectrocatalysisNanoparticlesDFTParticle size effectOxygen electroreductionPlatinum

Supplementary material

10562_2011_637_MOESM1_ESM.doc (286 kb)
Supplementary material 1 (DOC 286 kb)

Copyright information

© Springer Science+Business Media, LLC 2011