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Is the ∗O vs. ∗OH scaling relation intercept more relevant than the ∗OOH vs. ∗OH intercept to capture trends in the oxygen evolution reaction?
Chem Catalysis ( IF 11.5 ) Pub Date : 2024-07-01 , DOI: 10.1016/j.checat.2024.101039 Maksim Sokolov , Kai S. Exner
Chem Catalysis ( IF 11.5 ) Pub Date : 2024-07-01 , DOI: 10.1016/j.checat.2024.101039 Maksim Sokolov , Kai S. Exner
The transition from fossil fuels to renewable energy sources is inevitable, and electrocatalytic water splitting to produce hydrogen is one of the core processes that must be further optimized. Regrettably, the anodic oxygen evolution reaction (OER) severely limits its efficiency. Theory explains the humble intrinsic activity of OER catalysts by scaling relations between reaction intermediates. While the scaling relation between the ∗OOH and ∗OH intermediates is well established, only the slope of the ∗O vs.∗OH relation has an estimated numerical value, whereas the intercept of this scaling relation is frequently assumed to be zero. Herein, we demonstrate how deviations from this assumption cause changes in the shape of the volcano plot and the prevalent mechanisms at the apex of the volcano plot. Our derived volcano plots may enable further progress in the design of OER catalysts by shifting focus on the intercept of the ∗O vs. ∗OH scaling relation.
中文翻译:
对于捕捉析氧反应的趋势,*O 与*OH 比例关系截距是否比*OOH 与*OH 截距更相关?
从化石燃料向可再生能源的转变是不可避免的,而电催化水分解制氢是必须进一步优化的核心工艺之一。遗憾的是,阳极析氧反应(OER)严重限制了其效率。理论通过反应中间体之间的比例关系来解释 OER 催化剂不起眼的固有活性。虽然*OOH和*OH中间体之间的比例关系已经很好地建立,但只有*O与*OH关系的斜率有估计的数值,而这种比例关系的截距通常被假设为零。在这里,我们演示了与这一假设的偏差如何导致火山图形状的变化以及火山图顶点的普遍机制。我们导出的火山图可以通过将焦点转移到*O与*OH缩放关系的截距上,从而在OER催化剂的设计方面取得进一步进展。
更新日期:2024-07-01
中文翻译:
对于捕捉析氧反应的趋势,*O 与*OH 比例关系截距是否比*OOH 与*OH 截距更相关?
从化石燃料向可再生能源的转变是不可避免的,而电催化水分解制氢是必须进一步优化的核心工艺之一。遗憾的是,阳极析氧反应(OER)严重限制了其效率。理论通过反应中间体之间的比例关系来解释 OER 催化剂不起眼的固有活性。虽然*OOH和*OH中间体之间的比例关系已经很好地建立,但只有*O与*OH关系的斜率有估计的数值,而这种比例关系的截距通常被假设为零。在这里,我们演示了与这一假设的偏差如何导致火山图形状的变化以及火山图顶点的普遍机制。我们导出的火山图可以通过将焦点转移到*O与*OH缩放关系的截距上,从而在OER催化剂的设计方面取得进一步进展。