The axial coordination effect of atomic iodine on Fe-N₄ sites in oxygen reduction reaction is deciphered at the molecular scale. The electronic structure of the 3d orbital of Fe centers and the binding of the reactant/intermediate species on active sites are modulated exquisitely by the adequate interactions between Fe-N₄ moiety and axial iodine, which is determined as an important factor for the improved performance.

中文翻译：

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氧还原反应中原子碘对 Fe-N4 位点轴向配位效应的分子证据


在分子尺度上破译了原子碘对氧还原反应中 Fe-N₄ 位点的轴向配位效应。Fe-N₄ 部分和轴向碘之间的充分相互作用巧妙地调节了 Fe 中心的 3d 轨道的电子结构和反应物/中间物质在活性位点上的结合，这被确定为提高性能的重要因素。