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Why and when does lattice oxygen participate in oxygen evolution?

Arun Karmakar1,2, Asha K Satheesan1,2, Subrata Kundu1,2

  • 1Academy of Scientific and Innovative Research (AcSIR) Ghaziabad-201002 India arunkarmakar020@gmail.com skundu@cecri.res.in kundu.subrata@gmail.com +91-4565241487 +91-4565241487.

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Lattice oxygen contributes to the oxygen evolution reaction (OER) only when transition metals reach electronic saturation and the lattice can adapt. Surface engineering enhances this by optimizing electronic properties and lattice flexibility for better OER catalysts.

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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.