Interface Engineering of Anti-Perovskite Ni3FeN/VN Heterostructure for High-Performance Rechargeable Zinc–Air batteries

[Display omitted] •An anti-perovskite Ni3FeN/VN heterostructure is designed for Zn-air batteries.•The anti-perovskite Ni3FeN with the metallic behavior contributes to electron transfer.•Abundant catalytic active sites are formed at the heterogeneous interface.•The Ni3FeN/VN–NG displays excellent bifunctional activity with a ΔE value of 0.69 V. High-performance rechargeable zinc–air battery is highly relying on the efficient and stable bifunctional electrocatalysts. Herein, an anti-perovskite Ni3FeN/VN heterostructure encapsulated N–doped graphene (Ni3FeN/VN–NG) was synthesized by a two-step transformation of trimetallic NiFeV–layered double hydroxide. The Ni3FeN/VN–NG showed excellent bifunctional catalytic activity (ΔE = 0.69 V) and stability. The excellent bifunctional electrocatalytic performance is benefited from the extraordinary catalytic behavior of Ni3FeN/VN heterostructure. The intrinsic metallic properties and remarkable superconductivity of anti-perovskite Ni3FeN can enhance the electrocatalytic performance. Density functional theory calculations confirm that the electronic coupling between Ni3FeN and VN facilitates the charge transfer between the two components, simultaneously generates abundant catalytic active sites at the heterogeneous interface. When the Ni3FeN/VN–NG was used as the air cathode, in zinc–air battery, the zinc–air battery exhibits a high-power density of 168 mW cm−2 and a long cycle life of over 200 h.