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Interface engineering is verified as an efficient strategy for enhancing the intrinsic activity of transition metal-based electrocatalysts in alkaline hydrogen evolution reaction (HER). Here, the heterostructural MoO 2 /Ni 3 S 2 nanorod arrays fabricated on nickel foam (MoO 2 /Ni 3 S 2 /NF) are produced by a straightforward and effective hydrothermal approach. Benefiting from interfacial effect and self-supported structure, MoO 2 /Ni 3 S 2 /NF electrocatalyst exhibits remarkable HER catalytic properties and durability with a low overpotential of 74.0 mV for achieving a current density of 10 mA cm−2 in 1.0 M KOH, as well as a long-term stability without obvious attenuation. Density functional theory (DFT) calculations reveal electron transfer at the interface domain reduces the energy barrier of the water dissociation step and optimizes H adsorption capability, thereby expediting HER kinetics in alkaline media. This work provides a viable strategy based on interfacial engineering for designing high-efficient HER electrocatalysts. [Display omitted] ● The self-supported heterostructure MoO 2 /Ni 3 S 2 /NF nanorod arrays were synthesized. ● Interface engineering modulate the electronic structure within interface region. ● Electronic effect reduces water dissociation barrier and optimizes H adsorption. ● The MoO 2 /Ni 3 S 2 /NF exhibits excellent HER catalytic performance and stability. [ABSTRACT FROM AUTHOR]

Interface strain significantly affects the band structure and electronic states of metal‐nanocrystal‐2D‐semiconductor heterostructures, impacting system performance. While transmission electron microscopy (TEM) is a powerful tool for studying interface strain, its accuracy may be compromised by sample overlap in high‐resolution images due to the unique nature of the metal‐nanocrystals‐2D‐semiconductors heterostructure. Utilizing digital dark‐field technology, the substrate influence on metal atomic column contrasts is eliminated, improving the accuracy of quantitative analysis in high‐resolution TEM images. Applying this method to investigate Pt on MoS2 surfaces reveals that the heterostructure introduces a tensile strain of ≈3% in Pt nanocrystal. The x‐directional linear strain in Pt nanocrystals has a periodic distribution that matches the semi‐coherent interface between Pt nanocrystals and MoS2, while the remaining strain components localize mainly on edge atomic steps. These results demonstrate an accurate and efficient method for studying interface strain and provide a theoretical foundation for precise heterostructure fabrication. [ABSTRACT FROM AUTHOR]