The intriguing catalysts with excellent catalytic activity and durable stability in acidic oxygen evolution reaction (OER) are extremely desirable for efficient energy conversion. Herein, engineering the orbital splitting and electronic reoccupation at metal sites of alkali-metal-doped perovskites with face-shared IrO octahedral dimers is realized through structural distortion and symmetry breaking in an effort to boost the sluggish reaction kinetics and mitigate the degradation of the Ir-based catalysts in acidic electrolyte as well. Doping Na or K element can increase the oxidation state of Ir at IrO octahedral dimers, which not only displaces the Ir d-band centers for higher catalytic activity but also leads to a good stability of Ir centers with higher dissolution potentials. This work provides a new insight into enhancing the reactive activity by doping alkali metals.

中文翻译：

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利用共面 IrO6 八面体二聚体设计碱金属掺杂钙钛矿的轨道分裂和电子再占据

在酸性析氧反应（OER）中具有优异催化活性和持久稳定性的令人着迷的催化剂对于高效的能量转换来说是非常理想的。在此，通过结构畸变和对称性破缺，实现了共面 IrO 八面体二聚体碱金属掺杂钙钛矿金属位点的轨道分裂和电子再占据，以促进缓慢的反应动力学并减轻 Ir 的降解。酸性电解质中的催化剂也是如此。掺杂Na或K元素可以增加IrO八面体二聚体中Ir的氧化态，这不仅取代了Ir d带中心以获得更高的催化活性，而且导致Ir中心具有良好的稳定性和更高的溶解电位。这项工作为通过掺杂碱金属增强反应活性提供了新的见解。