Nano Research · 2022 · 31 citations · 40 references
Natural SciencesChemistryMaterials SciencePhysical ChemistrySurface ChemistrySurface ScienceCatalytic MaterialsElectrode MaterialsRedox ChemistryRedox-active MaterialsSurface OxidationSurface PhysicsElectronic Structure EffectsHydrogen Oxidation CatalystsHydrogen Oxidation ReactionNickel OxidesOxidationPlatinum Electrodes
Ni modification is considered as an efficient strategy for boosting the performance of Pt towards alkaline hydrogen oxidation reaction (HOR), yet its specific role is largely undecoded. Here, ultrathin Pt nanowires (NWs) are selected as models for revealing the significance of Ni modification on HOR by precisely positioning Ni on distinct positions of Pt NWs. Ni solely influences the electronic properties of Pt and thus weakens *H adsorption when it is located in the core of PtNi alloyed NWs, leading to a moderate improvement of alkaline HOR activity. When Ni is distributed in both core and surface of PtNi alloyed NWs, Ni strongly weakens *H adsorption but strengthens *OH adsorption. On the other hand, the electronic properties of Pt are hardly influenced when Ni is deposited on the surface of Pt NWs, on which the strong *H and *OH adsorptions lead to the improved HOR activity. This work reveals the significance of Ni modification on HOR, but also promotes the fundamental researches on catalyst design for fuel cell reactions and beyond.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
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