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First-principles transition state study of oxygen reduction reaction on Pt (111) surface modified by subsurface transition metals
Published online by Cambridge University Press: 06 March 2012
Abstract
We have performed first-principles density functional theory calculations to investigate how subsurface 3d transition metals M (M = Ni, Co, Fe, Ti, or V) affect the energetics and mechanisms of oxygen reduction reaction (ORR) on the outermost Pt mono-surface layer of Pt/M (111) surfaces. We found that the alteration of the ORR mechanism pathway can explain the activity enhancement for ORR on the Pt/M (111) surfaces.
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- Type
- Research Article
- Information
- MRS Online Proceedings Library (OPL) , Volume 1384: Symposium B – Advanced Materials for Fuel Cells , 2012 , mrsf11-1384-b06-03
- Copyright
- Copyright © Materials Research Society 2012
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