Hierarchical MoN@NiFe‐LDH Heterostructure Nanowire Array for Highly Efficient Electrocatalytic Hydrogen Evolution

Abstract The slow charge transfer and high energy barrier are the key restrictions of cost‐effective electrocatalysts for hydrogen production. A hierarchical heterostructure of MoN@NiFe‐layered double hydroxides (LDH) is developed, with NiFe‐LDH nanosheets supported on MoN nanowire arrays. The as‐prepared MoN@NiFe‐LDH exhibits a remarkably high performance on hydrogen production in alkaline medium, which is close to the benchmark Pt/C. The theoretical computations indicate that MoN@NiFe‐LDH has a metallic character inherited from MoN, which gives rise to the promoted charge transfer. Furthermore, the adsorption intensity of intermediates on MoN@NiFe‐LDH is optimized and thereby the energy barrier is diminished. This work demonstrates the significance of constructing heterostructure for boosting the charge transfer and reducing the energy barrier, which can shed light on the development of highly efficient and low‐cost electrocatalyst for hydrogen production.