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Area of Science:

  • Electrocatalysis
  • Materials Science
  • Energy Storage

Background:

  • Single-atom Fe-N-C catalysts show high oxygen reduction reaction (ORR) activity but suffer from instability.
  • Fenton-like reactions degrade Fe-N active sites, limiting catalyst application.

Purpose of the Study:

  • To develop a stable and highly active dual-atom electrocatalyst for oxygen electrocatalysis.
  • To investigate the mechanism of the dual-atom catalyst in zinc-air batteries.

Main Methods:

  • Synthesis of a dual-atom oxygen electrocatalyst (FeMo/NC) with FeMoN7 active sites.
  • Performance evaluation in a zinc-air battery (ZAB).
  • In situ X-ray absorption spectroscopy (XAS), Raman spectroscopy, and density functional theory (DFT) calculations.

Main Results:

  • The FeMo/NC catalyst demonstrated excellent bifunctional oxygen electrocatalysis.
  • The FeMo/NC-based ZAB operated continuously for over 200 hours with high stability.
  • In situ characterizations revealed a Fe-O-O-Mo intermediate with an oxygen bridge bond.

Conclusions:

  • The Fe-O-O-Mo intermediate and synergistic Fe-Mo dual-atom sites accelerate oxygen electrocatalysis by facilitating O2 adsorption/desorption.
  • DFT calculations confirmed lower energy barriers for bridged oxygen adsorption on dual-atom sites.
  • The dual-atom catalyst design offers a promising strategy to overcome the limitations of single-atom catalysts.