Due to the lack of well-defined structure, identifying and modulating structural reconstruction of a catalyst in reaction still remains a challenge. Herein, we prepared two atomically precise nanoclusters (Ag and Ag) with almost the same size and cluster framework. Ag showed higher electrocatalytic hydrogen evolution reaction (HER) activity than Ag due to an -reconstructed real active unit Ag triangle with appropriate hydrogen-binding energy. Based on characterization and theoretical calculation, the structural reconstruction of Ag originated from the strong Ag-Ag interaction. Furthermore, two kinds of Ag NCs were targeted for synthesis. The Ag NC with stronger Ag-Ag interaction presented the Ag triangle and exhibited better HER performance than the linear-type Ag NC, validating the Ag triangle arising from the strong interaction was the key for high HER activity. This study highlights the fundamental mechanism of interaction-induced structural reconstruction, providing useful guidelines for the design of a highly efficient catalyst.

中文翻译：

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强相互作用诱导的原位重建Ag3三角形作为增强电催化析氢的真正活性单元


由于缺乏明确的结构，识别和调节反应中催化剂的结构重建仍然是一个挑战。在这里，我们制备了两个原子级精确的纳米团簇（Ag 和 Ag），它们具有几乎相同的尺寸和团簇框架。由于重构的真实活性单元Ag三角形具有适当的氢结合能，Ag表现出比Ag更高的电催化析氢反应（HER）活性。基于表征和理论计算，Ag的结构重构源于强的Ag-Ag相互作用。此外，还合成了两种Ag NCs。具有较强Ag-Ag相互作用的Ag NC呈现出Ag三角形，并且比线性型Ag NC表现出更好的HER性能，验证了强相互作用产生的Ag三角形是高HER活性的关键。这项研究强调了相互作用诱导的结构重建的基本机制，为高效催化剂的设计提供了有用的指导。