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Theoretical Trends in Particle Size Effects for the Oxygen Reduction Reaction
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J. Greeley
Published/Copyright:
September 25, 2009
A simple, first principles-based model of the oxygen reduction reaction (ORR) is used to determine ORR kinetics on the (111), (100), and (211) facets of eleven transition metals (Au, Ag, Pt, Pd, Ir, Cu, Rh, Ni, Ru, Co, Fe). For most metals, the unreconstructed (100) facets are found to have an activity comparable to, or slightly higher than, the (111) facets. In contrast, (211) steps are found to be significantly less active than the terraces, with the exception of the most noble metals. These results are combined with simple models of the geometries of catalytic nanoparticles to estimate the average ORR activity of Pt and Au nanoparticles of various sizes. On Pt, a modest decrease in the activity with decreasing particle size is predicted, while for Au, the opposite trend is found.
Keywords: Density Functional Theory; Oxygen Reduction Reaction; Structure Sensitivity; Nanoparticles; Size Effect
Received: 2007-6-14
Accepted: 2007-7-23
Published Online: 2009-9-25
Published in Print: 2007-10-1
© Oldenbourg Wissenschaftsverlag
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Keywords for this article
Density Functional Theory;
Oxygen Reduction Reaction;
Structure Sensitivity;
Nanoparticles;
Size Effect
Articles in the same Issue
- Preface: Dieter Kolb zum 65. Geburtstag
- Precursor Adsorption of SbBr3 on Au(111) and Au(100) for Antimony Underpotential Deposition in a BMIBF4 Ionic Liquid – A Comparison with SbCl3
- Electroreduction of Nitrate at Copper Electrodes and Copper-PANI Composite Layers
- Potential Program Invariant Representation of Diffusion–Adsorption Related Voltammograms
- A Way for Determining the Effective Three Phase Boundary Width of Solid State Electrochemical Reactions from the Primary and Secondary Current Distribution at Microelectrodes
- Carbon Nanotubes and Electrochemistry
- Pd3Fe and Pt Monolayer-Modified Pd3Fe Electrocatalysts for Oxygen Reduction
- Electrochemical Nucleation and Growth Kinetics of Nanostructured Gold on Rotating Disc and Stationary Electrodes
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- Metal Deposition by Inducing a Microgalvanic Cell with the Scanning Electrochemical Microscope (SECM)
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- Hydrogen Adsorption on Activated Platinum Electrodes – An Electrochemical Impedance Spectroscopy Study
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