Constructing abundant interfaces by decorating MoP quantum dots on CoP nanowires to induce electronic structure modulation for enhanced hydrogen evolution reaction

Abstract

Interface engineering is a method of enhancing catalytic activity while maintaining a material's surface properties. Thus, we explored the interface effect mechanism via a hierarchical structure of MoP/CoP/Cu₃P/CF. Remarkably, the heterostructure MoP/CoP/Cu₃P/CF demonstrates an outstanding overpotential of 64.6 mV at 10 mA cm⁻² with a Tafel slope of 68.2 mV dec⁻¹ in 1 M KOH. DFT calculations indicate that the MoP/CoP interface in the catalyst exhibited the most favorable H* adsorption characteristics (−0.08 eV) compared to the pure phases of CoP (0.55 eV) and MoP (0.22 eV). This result can be attributed to the apparent modulation of electronic structures within the interface domains. Additionally, the CoCH/Cu(OH)₂/CF‖MoP/CoP/Cu₃P/CF electrolyzer demonstrates excellent overall water splitting performance, achieving 10 mA cm⁻² in 1 M KOH solution with a modest voltage of only 1.53 V. This electronic structure adjustment via interface effects provides a new and efficient approach to prepare high-performance hydrogen production catalysts.