Interfacial electronic structure modulation of Pt-MoS2 heterostructure for enhancing electrocatalytic hydrogen evolution reaction

The electronic metal-support interaction (EMSI) of heterogenous catalysts has attracted much attention for its enhancing electrocatalytic efficiency by impacting adsorption and desorption energy of reaction intermediates. Herein, we synthesize the monodispersed single-crystal Pt nanoparticles (similar to 3 nm) decorated on MoS2 nanosheets with 2 H phase (Pt-MoS2) by a universal wet chemical method. The morphology and structure characterizations show that the loaded Pt single-crystals are approximately half truncated octahedral shapes enclosed by {1 1 1} and {2 0 0} facets. Benefitting from interfacial electronic structure modulation, the Pt-MoS2 exhibits a lower overpotential (67.4 mV at the current desity of 10 mA.cm(-2)), smaller Tafel slope (76.2 mV.dec(-1)), and robuster HER durability than those of pristine MoS2 nanosheets and prepared Pt NPs. The theoretical simulations further reveal that the Pt atom at the interface, which belong to {2 0 0} facets and adjoin S atoms, own the smallest hydrogen adsorption free energy by manipulating the D-band center of the Pt metal surface. This work provides crystalline structure and electronic configuration engineering strategy towards to design and develop of metal-support heterostructure with high HER activity and stability.

Automated summary

This study synthesizes Pt nanoparticles decorated on MoS2 nanosheets and demonstrates their enhanced electrocatalytic activity and stability through electronic structure modulation, resulting in lower overpotential and smaller Tafel slope.