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Quantum size effects in Pb/Si(1 1 1) thin films from density functional calculations

✍ Scribed by M. Rafiee; S. Jalali Asadabadi


Book ID
116375503
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
1008 KB
Volume
47
Category
Article
ISSN
0927-0256

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The oxygen reduction reaction mechanism
✍ 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