A critical technological roadblock to the widespread adoption of proton-exchange membrane fuel cells is the development of highly active and durable platinum-based catalysts for accelerating the sluggish oxygen reduction reaction, which has largely relied on anecdotal discoveries so far. While the oxygen binding energy ∆E_O has been frequently used as a theoretical descriptor for predicting the activity, there is no known descriptor for predicting durability. Here we developed a binary experimental descriptor that captures both the strain and Pt transition metal coupling contributions through X-ray absorption spectroscopy and directly correlated the binary experimental descriptor with the calculated ∆E_O of the catalyst surface. This leads to an experimentally validated Sabatier plot to predict both the catalytic activity and stability for a wide range of Pt-alloy oxygen reduction reaction catalysts. Based on the binary experimental descriptor, we further designed an oxygen reduction reaction catalyst wherein high activity and stability are simultaneously achieved.

广泛采用质子交换膜燃料电池的一个关键技术障碍是开发高活性和耐用的铂基催化剂，以加速缓慢的氧还原反应，迄今为止，这在很大程度上依赖于轶事发现。虽然氧结合能 ΔEO_经常被用作预测活性的理论描述符，但没有已知的描述符来预测耐久性。在这里，我们开发了一个二元实验描述符，它通过 X 射线吸收光谱捕获应变和 Pt 过渡金属耦合贡献，并将二元实验描述符与计算的ΔE _{O直接关联起来}催化剂表面。这导致了一个经过实验验证的 Sabatier 图来预测各种 Pt 合金氧还原反应催化剂的催化活性和稳定性。基于二元实验描述符，我们进一步设计了一种同时实现高活性和稳定性的氧还原反应催化剂。