Pt-like catalytic activity from an atomistically engineered carbonitride MXene for sustainable hydrogen production

Electrolysis of water offers a sustainable route to green hydrogen production through the utilization of efficient electrocatalysts. Here, we use MXenes, a new class of 2D-layered materials, as a catalyst support for Ru nanoparticles for hydrogen evolution reaction (HER) catalysis. Our Ru-Ti3CN catalyst achieves a remarkably high HER performance of 56 mV overpotential at 10 mA cm−2 in alkaline electrolyte, as well as excellent stability over a 12 h period of HER catalysis. Our electrocatalyst offers performance metrics that are only matched by noble-metal catalysts (i.e., Pt/C catalysts) but with a much lower catalyst cost. We use density functional theory (DFT) to show synergistic effects between Ru and MXene and that the Ru atoms attach preferably to the surfaces of the MXene. In summary, we propose a new approach of tuning the electrocatalytic activity of MXenes to accelerate the development of cost-effective, efficient, and sustainable hydrogen technology.