Due to its importance for electrolyzers or metal–air batteries for energy conversion or storage, there is huge interest in the development of high-performance materials for the oxygen evolution reaction (OER). Theoretical investigations have aided the search for active material motifs through the construction of volcano plots for the kinetically sluggish OER, which involves the transfer of four proton–electron pairs to form a single oxygen molecule. The theory-driven volcano approach has gained unprecedented popularity in the catalysis and energy communities, largely due to its simplicity, as adsorption free energies can be used to approximate the electrocatalytic activity by heuristic descriptors.

中文翻译：

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析氧反应的四代火山图：超越质子耦合电子转移步骤？

由于其对于电解槽或金属空气电池在能量转换或存储方面的重要性，人们对开发用于析氧反应（OER）的高性能材料产生了巨大的兴趣。理论研究通过为动力学缓慢的 OER 构建火山图来帮助寻找活性材料基序，其中涉及四个质子-电子对的转移以形成单个氧分子。理论驱动的火山方法在催化和能源界获得了前所未有的普及，这主要是由于其简单性，因为吸附自由能可用于通过启发式描述符来近似电催化活性。