Supported core@shell electrocatalysts for fuel cells: close encounter with reality

Area of Science:

• Materials Science
• Electrochemistry
• Catalysis

Background:

• Core@shell electrocatalysts offer improved platinum utilization and tunable electronic properties for enhanced fuel cell performance.
• Designing efficient and stable electrocatalysts is crucial for advancing fuel cell technology.

Purpose of the Study:

• To develop a theoretical framework and facile synthesis strategy for highly active and stable core@shell/C electrocatalysts.
• To design and synthesize novel core@shell catalysts for both oxygen reduction reaction (ORR) and hydrogen oxidation reaction (HOR).

Main Methods:

• Density functional theory (DFT) calculations guided by oxygen adsorption and vacancy formation energies to predict optimal catalyst composition.
• Surfactant-free synthesis of core nanoparticles and selective shell formation using Hantzsch ester as a reducing agent.

Main Results:

• Pd₃Cu₁@Pt/C was identified as a highly active and stable candidate for ORR.
• Pd@Pd₄Ir₆/C was designed and synthesized for HOR.
• Both developed catalysts demonstrated high activity, selectivity, and 4,000 hours of durability at the single-cell level.

Conclusions:

• The theoretical design approach effectively guided the synthesis of advanced core@shell electrocatalysts.
• The novel synthetic strategy enables the preparation of highly efficient and durable catalysts for fuel cell applications.
• These findings pave the way for next-generation fuel cell technologies with improved performance and longevity.