Schematic diagram of the design strategy of non-noble metal antiperovskites toward ideal alkaline HER electrocatalysts.

Major Contributions
 

1.Developed a noble metal-free antiperovskite (CdNNi₃) with superior electrocatalytic performance for alkaline hydrogen evolution, achieving lower overpotential and higher stability than state-of-the-art non-noble metal catalysts and commercial Raney Ni in practical anion exchange membrane water electrolyzers.

2.Demonstrated that A-site tuning in ANNi₃ antiperovskites enables the regulation of electronic structure and interfacial water configuration, resulting in optimal electrical conductivity and the formation of synergistic dual active sites—specifically, Ni sites for efficient water dissociation and OH⁻ desorption, and unique Cd–Ni bridge sites for optimal H* adsorption and H₂ evolution.

3.Provided comprehensive mechanistic insights through combined experimental and theoretical analysis, revealing that the multifunctional-site synergy and high intrinsic conductivity of CdNNi₃ collectively fulfill the essential criteria for an ideal non-noble-metal alkaline HER electrocatalyst, and established a knowledge-based strategy for designing efficient noble metal-free catalysts for practical applications.

主要貢獻
 

1.成功開發出無貴金屬反鈣鈦礦（CdNNi₃），於鹼性析氫反應中展現出優異的電催化性能，其過電位與穩定性均優於現有最先進的無貴金屬催化劑及商用Raney Ni，並在實際陰離子交換膜水電解器中證實其高效能與長期耐久性。

2.證實透過A位點調控，ANNi₃反鈣鈦礦能有效調整其電子結構與界面水分子組態，進而優化材料的導電性並創造協同雙活性位點——Ni位點促進水分解與OH⁻脫附，獨特的Cd–Ni橋接位點則實現最佳H*吸附與氫氣析出。

3.結合實驗與理論計算，深入揭示CdNNi₃優異催化活性的機制，證明多功能活性位點協同效應與高本質導電性共同滿足理想無貴金屬鹼性析氫電催化劑的關鍵標準，並建立設計高效無貴金屬催化劑的知識基礎與策略。