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.

Automated summary

Interface engineering improves the performance of electrochemical catalysts for hydrogen evolution reaction. Mo2C/MoP-NPC heterostructure deposited on co-doped carbon substrate is fabricated, with optimized electronic structure achieved by adjusting phytic acid and aniline ratio. The Mo2C/MoP interface has an electron interaction, optimizing the hydrogen adsorption free energy and enhancing the reaction performance. Mo2C/MoP-NPC exhibits low overpotentials and superior stability, making it a promising candidate for green energy development.