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Updated: May 26, 2026

Probing and Mapping Electrode Surfaces in Solid Oxide Fuel Cells
Published on: September 20, 2012
Hydrogen oxidation reaction at the Ni/YSZ anode of solid oxide fuel cells from first principles
Clotilde S Cucinotta1, Marco Bernasconi, Michele Parrinello
1School of Physics and CRANN, College Green Dublin, Ireland. c.cucinotta@tcd.ie
Abstract:
By means of ab initio simulations we here provide a comprehensive scenario for hydrogen oxidation reactions at the Ni/zirconia anode of solid oxide fuel cells. The simulations have also revealed that in the presence of water chemisorbed at the oxide surface, the active region for H oxidation actually extends beyond the metal/zirconia interface unraveling the role of water partial pressure in the decrease of the polarization resistance observed experimentally.
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