Why and when does lattice oxygen participate in oxygen evolution?

Area of Science:

• Materials Science
• Electrochemistry
• Catalysis

Background:

• The role of lattice oxygen in the oxygen evolution reaction (OER) is crucial but not fully understood.
• Some oxides and hydroxides exhibit lattice oxygen redox activity, while others with similar electronic properties do not.

Purpose of the Study:

• To elucidate the fundamental conditions required for lattice oxygen participation in OER.
• To differentiate between electronic and structural requirements for lattice oxygen redox.
• To provide a framework for designing advanced OER catalysts.

Main Methods:

• Theoretical analysis of electronic and structural factors in OER catalysts.
• Review of surface-engineering strategies (doping, heterostructures, single atoms).
• Correlation of material properties with lattice oxygen redox activity.

Main Results:

• Lattice oxygen redox requires both electronic saturation of transition metals and structural adaptability of the lattice.
• High metal valence or metal-oxygen covalency alone are insufficient.
• Surface engineering strategies influence charge-transfer energy and metal oxidation stability.

Conclusions:

• A dual condition of electronic saturation and lattice flexibility governs lattice oxygen redox in OER.
• Understanding these factors is key to developing efficient OER catalysts.
• This work offers a chemistry-based framework for catalyst design.