Non-covalent interaction of atomically dispersed dual-site catalysts featuring Co and Ni nascent pair sites for efficient electrocatalytic overall water splitting

The scarcity of highly effective and economical catalysts is a major impediment to the widespread adoption of electrochemical water splitting for the generation of hydrogen. MoS₂, a low-cost candidate, suffers from inefficient catalytic activity. Nonetheless, a captivating strategy has emerged, which involves the engineering of heteroatom doping to enhance electrochemical proficiency. This investigation demonstrates a successful implementation of the strategy by combining ultrathin MoS₂ nanosheets with Co and Ni dual single multi-atoms (DSMAs) grown directly on 2D N-doped carbon nanosheets (CoNi-MoS₂/NCNs) for the purpose of improving hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). With the aid of a dual-atom doped bifunctional electrocatalyst, effective water splitting has been achieved across a broad pH range in electrolytes. The double doping of Co and Ni strengthens their interactions, thereby altering the electromagnetic composition of the host MoS₂ and ultimately leading to improved electrocatalytic activity. Additionally, the synergistic effect between NCNs and MoS₂ nanosheets provided efficient electron transport channels for ions and an ample surface area with open voids for ion diffusion. Consequently, the CoNi-MoS₂/NCNs catalysts demonstrated exceptional stability and activity, producing low degree overpotentials of 180.5, 124.9, and 196.4 mV for HER and 200, 203, and 207 mV for OER in neutral, alkaline, and acidic mediums, respectively, while also exhibiting outstanding overall water-splitting performance, durability, and stability when used as an electrolyzer at universal pH.