Utilizing Molybdenum to Tailor the Electronic Structure of Iron Through Electron Complementary Effect for Promoting Oxygen Reduction Activity

Abstract Tailoring the electronic structure of later transition metal‐based electrocatalysts by incorporating early transition metal based on the electronic complementary effect is anticipated to enhance the electrocatalytic activity. Herein, the modulation of the electronic structure of Fe 3 C through the utilization of Mo 2 C to promote oxygen reduction reaction (ORR) activity is reported. In situ characterizations combined with theoretical calculations reveal that the electron‐donating capability of molybdenum in Mo 2 C to the active center of iron in Fe 3 C optimizes the adsorption and activation of oxygen. Concurrently, the d‐band center of Fe is much closer to the Fermi level, which reduces the energy…

• NN
  National Natural Science Foundation of China

  Awards: 22409055, U20A20250, 22179034
• NS
  Natural Science Foundation of Heilongjiang Province

  Award: ZD2023B002
• NK
  National Key Research and Development Program of China

  Award: 2023YFA1507204