Highly Efficient Electrocatalytic Oxygen Evolution Over Atomically Dispersed Synergistic Ni/Co Dual Sites

Area of Science:

• Materials Science
• Electrochemistry
• Catalysis

Background:

• Single-atom catalysts (SACs) are cost-effective but face challenges with low active-site loading and unclear mechanisms.
• Improving the performance and understanding of SACs is crucial for electrochemical energy applications.

Purpose of the Study:

• To design and synthesize novel atomically dispersed dual-metal sites on a nitrogen-doped carbon support.
• To investigate the electrocatalytic activity and mechanism of the new catalyst for the oxygen evolution reaction.

Main Methods:

• Rational design and synthesis of atomically dispersed Ni/Co dual sites on nitrogen-doped carbon (a-NiCo/NC) hollow prisms.
• Electrocatalytic testing for the oxygen evolution reaction.
• Density functional theory (DFT) calculations to elucidate the catalytic mechanism and electronic structure.

Main Results:

• The synthesized a-NiCo/NC sample demonstrated superior electrocatalytic activity and kinetics for the oxygen evolution reaction.
• DFT calculations revealed synergistic interactions between heteronuclear Ni/Co dual sites.
• These interactions optimized the electronic structure and reduced the reaction energy barrier.

Conclusions:

• Atomically dispersed Ni/Co dual sites on NC hollow prisms represent a promising strategy for high-efficiency SACs.
• The study provides insights into the mechanism of dual-site SACs, enhancing their application in energy storage and conversion.
• This work paves the way for developing advanced electrocatalysts with improved performance.