Activity, cost, and durability are the trinity of catalysis research for the electrochemical oxygen reduction reaction (ORR). While studies towards increasing activity and reducing cost of ORR catalysts have been carried out extensively, much effort is needed in durability investigation of highly active ORR catalysts. In this work, we examined the stability of a trimetallic PtPdCu catalyst that has demonstrated high activity and incredible durability during ORR using density functional theory (DFT) based computations. Specifically, we studied the processes of dissolution/deposition and diffusion between the surface and inner layer of Cu species of Pt 20 Pd 20 Cu 60 catalysts at electrode potentials up to 1.2 V to understand their role towards stabilizing Pt 20 Pd 20 Cu 60 catalysts. The results show there is a dynamic Cu surface composition range that is dictated by the interplay of the four processes, dissolution, deposition, diffusion from the surface to inner layer, and diffusion from the inner layer to the surface of Cu species, in the stability and observed oscillation of lattice constants of Cu-rich PtPdCu nanoalloys. 
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                            Pt‐Ir‐Pd Trimetallic Nanocages as a Dual Catalyst for Efficient Oxygen Reduction and Evolution Reactions in Acidic Media
                        
                    
    
            Abstract The development of dual catalysts with high efficiency toward oxygen reduction and evolution reactions (ORR and OER) in acidic media is a significant challenge. Here an active and durable dual catalyst based upon cubic Pt39Ir10Pd11nanocages with an average edge length of 12.3 nm, porous walls as thin as 1.0 nm, and well‐defined {100} facets is reported. The trimetallic nanocages perform better than all the reported dual catalysts in acidic media, with a low ORR‐OER overpotential gap of only 704 mV at a Pt‐Ir‐Pd loading of 16.8 µgPt+Ir+Pdcm−2geo. For ORR at 0.9 V, when benchmarked against the commercial Pt/C and Pt‐Pd nanocages, the trimetallic nanocages exhibit an enhanced mass activity of 0.52 A mg−1Pt+Ir+Pd(about four and two times as high as those of the Pt/C and Pt‐Pd nanocages) and much improved durability. For OER, the trimetallic nanocages show a remarkable mass activity of 0.20 A mg−1Pt+Irat 1.53 V, which is 16.7 and 4.3 fold relative to those of the Pt/C and Pt‐Pd nanocages, respectively. These improvements can be ascribed to the highly open structure of the nanocages, and the possible electronic coupling between Ir and Pt atoms in the lattice. 
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                            - Award ID(s):
- 1804970
- PAR ID:
- 10458250
- Publisher / Repository:
- Wiley Blackwell (John Wiley & Sons)
- Date Published:
- Journal Name:
- Advanced Energy Materials
- Volume:
- 10
- Issue:
- 16
- ISSN:
- 1614-6832
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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