Porous N-doped Mo2C@C nanoparticles for high-performance hydrogen evolution reaction

Exploration for an earth-rich and competent electrocatalyst for the hydrogen evolution reaction (HER) is a significant and challenging approach to confronting the resources shortage and environmental crisis. Porous N-doped Mo 2 C@C (N-Mo 2 C@C) nanoparticles self-encapsulated in nanospheres are presented as a high-performing HER electrocatalyst fabricated through a one-pot solvothermal method followed by hydrogen calcination . Structural analyses show that acetamide can regulate the size of the nanospheres, provide a N source for doping and form porous structures composed of Mo 2 C, which suggests the exposure of extensive active sites as well as the contact and diffusion among the medium, electrodes, and gas. Theoretical calculations show that the N doping can enhance the activity of the Mo-C bond, reduce the energy of capturing hydrogen intermediates, and increase the catalytic conductivity. This work offers a simple and promising strategy to understand the catalytic mechanism required to optimize the activity of Mo-based electrocatalysts via N doping.