Multi-step rational screening-guided process for high-melting-point metal oxide protective layers, including the software used at each step, the screening objectives, and the screening criteria.

Major Contributions
 

1.High-melting-point metal oxides were systematically screened as protective layers for RuO₂, identifying Ta-based oxides as the most effective in acidic OER environments. 

2.A core–shell RuO2@TaOx catalyst was constructed, where the dense amorphous TaOx layer suppressed Ru dissolution, enhanced interfacial charge transfer, and delivered low overpotentials with markedly improved durability. 

3.Operando Quick-XAS revealed Ru as the active site and Ta as a stabilizer preventing Ru over-oxidation, experimentally validating the theoretical screening strategy and establishing a paradigm for designing protected RuO₂ electrocatalysts for acidic OER.

主要貢獻
 

1.系統性篩選保護層：針對高熔點金屬氧化物進行了系統性篩選，作為 RuO2 的保護層。結果確認在酸性 OER 環境中，鉭基（Ta-based）氧化物是最有效的保護材料。

2.核殼結構增強耐久性：建構了一種 核殼結構（Core-shell） 的 RuO2@TaOx 催化劑。其中，緻密的非晶態 TaOx 外層能有效抑制釕（Ru）的溶解，並增強界面電荷轉移。該材料不僅實現了低過電位，其耐久性也獲得顯著提升。

3.原位光譜揭示穩定機制：利用 Operando Quick-XAS（原位快速 X 射線吸收光譜） 分析揭示：Ru 是主要的活性位點，而 Ta 則扮演穩定劑的角色，防止 Ru 發生過度氧化（over-oxidation）。這項結果實驗性地驗證了理論篩選策略，並為設計適用於酸性 OER 的受保護 RuO2 電催化劑建立了新的典範。