Journal of The Electrochemical Society · 2014 · 143 citations · 30 references
Natural SciencesChemistryMaterials ScienceElectrochemistryMaterials ChemistrySurface ScienceElectrode KineticsElectrode MaterialsElectrode-electrolyte InterfacesElectrolyte MaterialsSurface PhysicsSurface ReactivityAdsorption At Electrochemical InterfacesAnion AdsorptionCatalyst PoisoningElectrochemical MeasurementsElectrode Ion AdsorptionElectrode Surface StructureIonomersSpecific Ion Adsorption
The catalyst poisoning property of a novel ionomer, NBC4, which has two sulfonimide acid groups in its side chain ended with a perfluorobutane, instead of sulfonic acid groups as Nafion does, was theoretically and experimentally compared with that of Nafion. A density functional theory combined with a continuum electrolyte theory showed that the adsorption is weaker for sulfonimide anion than for sulfonate anion on Pt (111) surface. Electrochemical measurements using Pt (111) surfaced single crystal electrodes covered with the ionomer films showed the weaker anion adsorption and higher ORR activity by ca. 50% at 0.82 V vs the reversible hydrogen electrode for NBC4 than for Nafion.
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Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Efficient pseudopotentials for plane-wave calculations
N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations
Natural Sciences, Chemistry, Physics +14