Dataset of "Balancing Activity and Stability through Compositional Engineering of Ternary PtNi–Au Alloy ORR Catalysts"

A systematic comparative analysis of the activity-stability relationship for compositionally tuned PtNi-Au model layers, prepared by magnetron co-sputtering, was conducted using a diverse range of complementary characterization techniques and electrochemistry, supported by density functional theory calculations. Our study reveals that progressively increasing the Au concentration in the Pt50Ni50 alloy from 3 to 15 at.% leads to opposing catalyst activity and stability trends. Specifically, we observe a decrease in ORR activity accompanied by an increase in catalyst stability, manifested in the suppression of both Pt and Ni dissolution. Despite the reduced activity compared to PtNi, the PtNi–Au alloy with 15 at.% Au still exhibits nearly three times the activity of monometallic Pt. It also demonstrates a significantly improved dissolution stability relative to the PtNi alloy and even monometallic Pt. These findings provide valuable insights into the intricate balance between activity and stability in multimetallic ORR catalysts, paving the way for the design of cost-effective and durable materials for PEMFCs.