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Oxygen reduction reaction mechanism on nitrogen-doped graphene: A density functional theory study

✍ Scribed by Liang Yu; Xiulian Pan; Xiaoming Cao; P. Hu; Xinhe Bao

Book ID
113687023
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
1018 KB
Volume
282
Category
Article
ISSN
0021-9517

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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