Impact of Halogen Axial Coordination on the Electronic and Magnetic Properties of MN4 Single-Atom Catalysts for Oxygen Reduction

Key Points

• The research aims to explore how axial halogen coordination influences the properties of MN4 single-atom catalysts in oxygen reduction.
• Assessment of halogen axial coordination on MN4 catalysts.
• Evaluation of electronic and magnetic properties through experimental and computational techniques.
• Comparison of catalysts with and without halogen coordination.
• Halogen axial coordination significantly alters the electronic properties of single-atom catalysts.
• Magnetic properties show variability based on the type of halogen coordinated.
• These modifications suggest potential pathways for optimizing catalysts for oxygen reduction.