Fig. 3: TOF LSV curves and DFT calculations.

a TOF LSV curves of different electrodes. b Calculated ΔGH* diagram of the HER in acid electrolyte at the equilibrium potential. c Relative energy diagram of water dissociation on MoC, Mo2C, and MoC-Mo2C, including the two steps of water dissociation, in alkaline solution, TS: Transition State. d Schematic illustration of the HER mechanism.