Schematic diagram

Major Contributions
 

1.Developed a dual-site heterogeneous catalyst by decorating Ni₃Se₄ nanoclusters on a Ni₃N substrate, which significantly enhances interfacial electronic interactions and optimizes the electronic structure, leading to improved adsorption of reaction intermediates and superior catalytic activity for the hydrogen evolution reaction (HER) in alkaline electrolyte.

2.Demonstrated through comprehensive spectroscopic analyses and density functional theory (DFT) calculations that the Ni₃N surface promotes water adsorption and dissociation, enriching the surface with adsorbed hydrogen atoms, while the Se sites facilitate hydrogen coupling and subsequent H₂ release via a hydrogen spillover mechanism.

3.Achieved a highly efficient and durable HER catalyst that requires only ~60 mV overpotential at 10 mA cm⁻² current density and maintains stability under high potential conditions, outperforming most previously reported transition metal selenide-based electrocatalysts in alkaline HER performance.

主要貢獻
 

1.成功開發出一種雙位點異質催化劑，將Ni₃Se₄奈米團簇修飾於Ni₃N基底上，大幅提升界面電子交互作用並優化電子結構，進而增強反應中間體的吸附能力，實現鹼性電解液中優異的析氫反應催化活性。

2.經由多種光譜分析與密度泛函理論（DFT）計算證實，Ni₃N表面能促進水分子的吸附與解離，增加表面吸附氫原子的濃度，而Se位點則有助於氫的耦合與後續氫氣的釋放，整體反應遵循氫溢流機制進行。

3.獲得一款高效且耐久的析氫催化劑，在10 mA cm⁻²電流密度下僅需約60 mV過電位，並能在高電位條件下維持穩定運作，整體性能優於大多數已報導的過渡金屬硒化物基析氫電催化劑。