Constructing Sulfur Vacancy-Rich NiCo2S4@MoS2 Core@shell Heterostructure via Interface Engineering for Enhanced HER Electrocatalysis

作者：Ziteng Song, Yuan Liu, Peng Yin, Jie Dai, Yingying Xu, Rongming Wang, Sibin Duan · 发表于：Nanomaterials · 年份：2025 · DOI：10.3390/nano15141061 · 被引用次数：9 · 研究领域：Electrocatalysts for Energy Conversion、Chalcogenide Semiconductor Thin Films、Advanced battery technologies research

The rational design of heterointerfaces with optimized charge dynamics and defect engineering remains pivotal for developing advanced non-noble metal-based electrocatalysts for water splitting. A comparative study of NiCo2S4–MoS2 heterostructures was conducted to elucidate the impact of interfacial architecture and defect engineering on hydrogen evolution reaction (HER) performance. A core@shell NiCo2S4@MoS2 heterostructure was synthesized via a facile hydrothermal growth method, inducing lattice distortion and strong interfacial coupling, while supported NiCo2S4/MoS2 heterostructures were prepared by ultrasonic-assisted deposition. A detailed structural and spectroscopic characterization and theoretical calculation demonstrated that the core@shell configuration promotes charge redistribution across the NiCo2S4–MoS2 interface and generates abundant sulfur vacancies, thereby increasing the density of electroactive sites. Electrochemical measurements reveal that NiCo2S4@MoS2 markedly outperforms the supported heterostructure, single-component NiCo2S4, and MoS2 when serving as the HER catalyst in acid solution. These findings establish a dual-optimization strategy—combining interfacial design with vacancy modulation—that provides a generalizable paradigm for the deliberate design of high-efficiency non-noble metal-based electrocatalysts for water splitting reactions.