Atomically Dispersed Sn on Core-Shell MoS<sub>2</sub> Nanoreactors as Mott-Schottky Phase Junctions for Efficient Electrocatalytic Hydrogen Evolution.

Jin, Hao; Zhang, Yan; Cao, Zhuwei; Liu, Jian; Ye, Sheng · Adv Mater · 2025

basic_science · Level V

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Abstract

The electrocatalytic hydrogen evolution reaction (HER) plays a pivotal role in electrochemical energy conversion and storage. However, traditional HER catalysts still face significant challenges, including limited activity, poor acid resistance, and high costs. To address these issues, a hollow core-shell structured 2H@1T-MoS<sub>2</sub>-Sn<sub>1</sub> nanoreactor is designed for acidic HER, where Sn single atoms are anchored on the shell of 2H@1T-MoS<sub>2</sub> Mott-Schottky phase junction. The 2H@1T-MoS<sub>2</sub>-Sn<sub>1</sub> catalyst demonstrates exceptional HER performance, achieving an ultralow overpotential of 9 mV at 10 mA cm<sup>-2</sup> and a Tafel slope of 16.3 mV dec<sup>-1</sup> in acidic media-the best performance reported to date among MoS<sub>2</sub>-based electrocatalysts. The enhanced performance is attributed to the internal electric field at the Mott-Schottky phase junction, which facilitates efficient electron transfer. Additionally, the Sn single atoms modulate the electronic structure of Mo atoms within the Sn-S<sub>2</sub>-Mo motif, inducing a significant shift in the d-band center and thereby optimizing the dehydrogenation process. This work presents a novel electrocatalyst design strategy that simultaneously engineers interfacial charge transfer and surface catalysis, offering a promising approach for advancing energy conversion technologies.