Designing Ni3N/CDTs heterostructure for superior alkaline electrochemical activity: Insights from theory to experiment

The creation of efficient oxygen evolution reaction (OER) electrocatalyst are vital for hydrogen energy sustainability. Here, Ni 3 N/CDTs has been synthesized through hydrothermal method that unveils enhanced conductivity, better electronic structure, having greater number of active sites which led towards exceptional OER kinetics. Ni 3 N/CDTs displays an outstandingly minimal overpotential of 218 mV at a benchmark current density of 10 mA cm 2 for OER. A modest Tafel value around 30 mV/dec and a higher turnover frequency (TOF) of 0.43 s −1 for OER indicate a breakthrough in electrocatalytic activity, and faster reaction kinetics have been observed in this scenario. The interaction resulting from interfacial electron redistribution and the presence of several active sites significantly enhances the optimization of surface binding energy for various intermediates, as evidenced by our experimental findings and theoretical computations. This research can enhance the electron-transfer mechanism by providing new cost-effective ways that are alternative to noble-metal-based electrocatalysts.