Non-Zero Binding Enhances Kinetics of Catalysis: Machine Learning Analysis on the Experimental Hydrogen Binding Energy of Platinum
Non-Zero Binding Enhances Kinetics of Catalysis: Machine Learning Analysis on the Experimental Hydrogen Binding Energy of Platinum
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DOI：
10.1021/acscatal.1c01018
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发表时间：
2021-05-10
期刊：
影响因子：
12.9
通讯作者：
Nakamura, Ryuhei
中科院分区：
文献类型：
--
作者：
Ooka, Hideshi;Wintzer, Marie E.;Nakamura, Ryuhei
几十年来，热中性结合能一直被认为是产生最大催化活性的条件。然而，最近的理论研究对这一标准提出了挑战，因为热中性只能使平衡附近的活性最大化。在这里，我们报告的铂的实验氢结合能为+0.094 eV，通过拟合微观动力学速率方程的塔菲尔图。在增加过电位时，与热中性催化剂相比，铂的正结合能产生更高的活性。平衡附近和远离平衡的活性之间的权衡表明，热中性可能不是传统认为的催化剂设计的理想方向。
A thermoneutral binding energy has been considered to yield maximum catalytic activity for decades. However, recent theoretical studies have challenged this criteria, because thermoneutrality only maximizes the activity near equilibrium. Here, we report the experimental hydrogen binding energy of platinum to be +0.094 eV, obtained by fitting microkinetic rate equations to the Tafel plot. Upon increasing the overpotential, the positive binding energy of platinum yields higher activity compared to a thermoneutral catalyst. The trade-off between activity near equilibrium and away from equilibrium suggests that thermoneutrality may not be the ideal direction of catalyst design as traditionally considered.