The electrochemical parameters, viz., potential of zero charge (E _PZC) and electron transfer coefficient (α) are directly linked to the various intrinsic interfacial parameters. The proper extraction, analysis, and correlation of E _PZC and α are important for using them as descriptors to understand the microkinetic aspects of electrocatalysis reactions. Herein, we present our attempts to use these descriptors for understanding the activity trend of the hydrogen evolution reaction (HER) over Ti₂C MXenes terminated with varying surface functionalities (viz., *OH-dominant, *F-dominant, and mixture of *OH and *F). The HER activity is found to be closely related to E _PZC (estimated via differential capacitance measurements) and α (estimated from the Tafel plots under steady-state conditions), which, in turn, are tuned via surface termination of MXenes. The potential screening effect derived from α explains the facile formation of the transition state and the favorable electron transfer distance. This methodology can be extended to other electrocatalytic systems, providing a practical tool to screen materials and refine the interfacial properties through quantitative correlations between surface structure, interfacial energetics, and reaction kinetics.

中文翻译：

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使用零电荷电位和电子转移系数作为电化学描述符，了解表面功能化 Ti2C MXenes 的调制电催化 H2 生成活性

电化学参数，即零电荷电位 （E_PZC） 和电子转移系数 （α） 与各种本征界面参数直接相关。E_PZC 和 α 的正确提取、分析和关联对于将它们用作描述符来理解电催化反应的微动力学方面非常重要。在此，我们尝试使用这些描述符来理解具有不同表面官能团（即 *OH 主导、*F 主导以及 *OH 和 *F 的混合物）终止的 Ti₂C MXenes 上的析氢反应 （HER） 的活动趋势。发现 HER 活性与 E PZC（通过差分电容测量估计）和 α（在稳态条件下根据 Tafel 图估计）密切相关，而 E_PZC 又通过 MXenes 的表面端接进行调整。α 得出的电位屏蔽效应解释了过渡态的容易形成和有利的电子转移距离。这种方法可以扩展到其他电催化系统，通过表面结构、界面能量学和反应动力学之间的定量相关性，为筛选材料和优化界面特性提供了一种实用工具。