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Mechanistic Study of the Electrochemical Oxygen Reduction Reaction on Pt(111) Using Density Functional Theory

✍ Scribed by Hyman, Matthew P.; Medlin, J. Will

Book ID
127043128
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
235 KB
Volume
110
Category
Article
ISSN
0022-3654

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The oxygen reduction reaction mechanism
The oxygen reduction reaction mechanism on Pt(1 1 1) from density functional theory calculations
✍ Vladimir TripkoviΔ‡; Egill SkΓΊlason; Samira Siahrostami; Jens K. NΓΈrskov; Jan Ros πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 544 KB

We study the oxygen reduction reaction (ORR) mechanism on a Pt(1 1 1) surface using density functional theory calculations. We find that at low overpotentials the surface is covered with a half dissociated water layer. We estimate the barrier for proton transfer to this surface and the barrier for p