Researchers have developed a Mott-Schottky heterostructure, specifically the Ni/NiMoN electrode, to enhance the efficiency of hydrogen production through water splitting. By utilizing nickel, molybdenum, and nitrogen, the electrode reduces the energy demands of the process, achieving a significant improvement in mass transport efficiency. The superwettability of the electrode plays a crucial role in minimizing bubble adhesion, optimizing hydrogen adsorption/desorption energetics, and promoting hydrogen spillover effects. Density functional theory studies have shown that the electrode can maintain ultralow overpotential levels at high current densities for extended periods, demonstrating its durability and stability. The research aims to address persistent issues like overpotential and catalyst instability during the hydrogen evolution reaction, paving the way for scalable and efficient green hydrogen generation. Future endeavors will involve the development of advanced heterostructures, the integration of machine learning in catalyst design, and the exploration of solutions for challenges such as chloride corrosion in seawater electrolysis, contributing to the advancement of sustainable hydrogen production technology.