Interface engineering of Mo-doped Ni9S8/Ni3S2 multiphase heterostructure nanoflowers by one step synthesis for efficient overall water splitting

Accelerating charge transfer efficiency by constructing heterogeneous interfaces on metal-based substrates is an effective way to improve the electrocatalytic performance of materials. However, minimizing the substrate-catalyst interfacial resistance to maximize catalytic activity remains a challenge. This study reports a simple interface engineering strategy for constructing Mo-Ni 9 S 8 /Ni 3 S 2 heterostructured nanoflowers . Experimental and theoretical investigations reveal that the primary role assumed by Ni 3 S 2 in Mo-Ni 9 S 8 /Ni 3 S 2 heterostructure is to replace nickel foam (NF) substrate for electron conduction, and Ni 3 S 2 has a lower potential energy barrier (0.76 to 1.11 eV) than NF (1.87 eV), resulting in a more effortless electron transfer. The interface between Ni 3 S 2 and Mo-Ni 9 S 8 effectively regulates electron redistribution, and when the electrons from Ni 3 S 2 are transferred to Mo-Ni 9 S 8 , the potential energy barriers at the heterogeneous interface are 1.06 eV, lower than that between NF and Ni 3 S 2 (1.53 eV). Mo-Ni 9 S 8 /Ni 3 S 2 -0.1 exhibited excellent oxygen evolution reaction (OER)/hydrogen evolution reaction (HER) bifunctional catalytic activity in 1 M KOH, with overpotentials of only 223 mV@100 mA cm −2 for OER and 116 mV@10 mA cm −2 for HER . Moreover, when combined with an alkaline electrolytic cell, it required only an ultra-low cell voltage of 1.51 V to drive a current density of 10 mA cm −2 . This work provides new inspirations for rationally designing interface engineering for advanced catalytic materials.