Major Contributions
 

1. Nickel single-atom catalysts (SACs) are engineered onto 2H-MoS₂ support via a precise synthesis route, leveraging Ni–S coordination to optimize charge transfer kinetics and active site utilization for photoelectrocatalytic HER.

2. The Ni SAC/2H-MoS₂ system achieves significantly enhanced photoelectrocatalytic hydrogen production under neutral conditions, more relevant to practical water splitting, outperforming both bare MoS₂ and Ni nanoparticle controls.

3. Mechanistic investigation reveals that Ni single atoms modify the MoS₂ electronic structure, reduce ΔGH*, and boost photogenerated charge separation, establishing a design principle for single-atom-decorated 2D photoelectrocatalysts.

主要貢獻
 

1. 在 2H-MoS₂ 上以精確合成路線製備鎳單原子催化劑（SAC），利用 Ni-S 配位優化電荷轉移動力學與活性位點利用率用於光電催化 HER。

2. Ni SAC/2H-MoS₂ 體系在中性條件下實現顯著增強的光電催化產氫性能，優於裸 MoS₂ 與 Ni 奈米顆粒對照組，更符合實際水分解應用。

3. 機制研究揭示 Ni 單原子改變 MoS₂ 電子結構、降低 ΔGH* 並提升光生電荷分離，確立單原子修飾二維材料光電催化劑的設計原則。