Modulating the electronic structure of Mo2C/MoP heterostructure to boost hydrogen evolution reaction in a wide pH range

Interface engineering is an effective strategy for the design of electrochemical catalysts with attractive performance for hydrogen evolution reaction. Herein, the Molybdenum carbide/molybdenum phosphide (Mo₂C/MoP) heterostructure deposited on nitrogen (N), phosphorous (P) co-doped carbon substrate (Mo₂C/MoP-NPC) is fabricated by one-step carbonization. The electronic structure of Mo₂C/MoP-NPC is changed by optimizing the ratio of phytic acid and aniline. The calculation and experimental results also show that there is an electron interaction on the Mo₂C/MoP interface, which optimizes the adsorption free energy of hydrogen (H) and improves the performance of hydrogen evolution reaction. Mo₂C/MoP-NPC exhibits significant low overpotentials at 10 mA·cm^-2 current density, 90 mV in 1 M KOH and 110 mV in 0.5 M H₂SO₄, respectively. In addition, it shows superior stability over a broad pH range. This research provides an effective method for the construction of novel heterogeneous electrocatalysts and is conducive to the development of green energy.