Nature Communications · 2023 · 107 citations · 49 references
Natural SciencesChemical EngineeringMaterials ScienceCatalysisNanomaterialsPhysical ChemistryCatalyst DesignCatalyst PreparationCatalyst SynthesisCatalytic MaterialsFuel Cell MaterialsFuel CellsCatalytic Energy ConversionFuel Cell CatalystsMelting PointNanocatalyst SynthesisOxygen Reduction CatalystsOxygen Reduction ReactionPower DensityProton Exchange Membrane Fuel Cells
Abstract Carbon supported intermetallic compound nanoparticles with high activity and stability are promising cathodic catalysts for oxygen reduction reaction in proton-exchange-membrane fuel cells. However, the synthesis of intermetallic catalysts suffers from large diffusion barrier for atom ordering, resulting in low ordering degree and limited performance. We demonstrate a low-melting-point metal doping strategy for the synthesis of highly ordered L1 0 -type M-doped PtCo (M = Ga, Pb, Sb, Cu) intermetallic catalysts. We find that the ordering degree of the M-doped PtCo catalysts increases with the decrease of melting point of M. Theoretic studies reveal that the low-melting-point metal doping can decrease the energy barrier for atom diffusion. The prepared highly ordered Ga-doped PtCo catalyst exhibits a large mass activity of 1.07 A mg Pt −1 at 0.9 V in H 2 -O 2 fuel cells and a rated power density of 1.05 W cm −2 in H 2 -air fuel cells, with a Pt loading of 0.075 mg Pt cm −2 .
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text