Boosting Oxygen Evolution Reaction Performance on NiFe-Based Catalysts Through d-Orbital Hybridization.

Area of Science:

• Electrochemistry
• Materials Science
• Green Chemistry

Background:

• Anion-exchange membrane water electrolyzers (AEMWEs) are crucial for green hydrogen production.
• NiFe-based catalysts are promising due to their earth-abundant nature.
• Optimizing oxygen evolution reaction (OER) performance is key for AEMWE efficiency.

Purpose of the Study:

• To develop novel ternary NiFeM (M: La, Mo) catalysts for enhanced OER performance in AEMWEs.
• To investigate the effect of introducing a third metal on catalyst structure and electronic properties.
• To improve the efficiency and stability of green hydrogen production.

Main Methods:

• Synthesis of ternary NiFeM (M: La, Mo) catalysts.
• Experimental characterization of catalyst properties.
• Theoretical calculations (e.g., DFT) to understand electronic structure and reaction mechanisms.
• Electrochemical testing in an anion exchange membrane electrolyzer.

Main Results:

• Ternary NiFeM catalysts with distinct M-NiFe units were successfully synthesized.
• La doping optimized the electronic structure, enhancing oxygen intermediate adsorption.
• The NiFeLa catalyst achieved 1 A cm⁻² at 1.58 V with excellent long-term stability (600 h).

Conclusions:

• Ternary NiFeLa catalysts offer a promising strategy for high-performance OER in AEMWEs.
• Optimized electronic hybridization and reduced energy barriers are responsible for improved catalytic activity.
• The developed catalyst demonstrates significant potential for efficient and stable green hydrogen production.