Modulating lattice strain in intermetallic compounds could effectively alter their electronic structure and binding energy, thus impacting catalytic activity. Strain is usually induced through lattice mismatch, achieved by constructing core‐shell nanostructures or metal‐substrate interfaces with complex reciprocity and distractors. However, in situ induced strain without interface‐construction or lattice mismatch presents challenges. In this study, we precisely manipulate consecutive compressive strain from −0.5% to −0.8% in CoPt3Pd intermetallic compound by inducing interior atomic radius mismatch. Precise strain control results in a negative shift of d‐band center, dynamic charge distribution, and facilitates water dissociation, leading to enhanced electrocatalytic activity. The CoPt3Pd catalyst with −0.5% compressive strain exhibits exceptional hydrogen evolution activity, with an overpotential of 169 mV at 1 A cm−2. Our approach offers a straightforward method to manipulate compressive strain on intermetallic compounds by atomic size mismatch, with broad implications for catalytic processes.

中文翻译：

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原子尺寸不匹配导致金属间化合物连续压缩应变，从而促进析氢


调节金属间化合物中的晶格应变可以有效地改变其电子结构和结合能，从而影响催化活性。应变通常是通过晶格失配引起的，这是通过构建具有复杂互易性和干扰因素的核壳纳米结构或金属基底界面来实现的。然而，没有界面结构或晶格失配的原位诱导应变提出了挑战。在这项研究中，我们通过诱导内部原子半径失配，精确控制 CoPt3Pd 金属间化合物中从 -0.5% 到 -0.8% 的连续压缩应变。精确的应变控制导致 d 带中心负移、动态电荷分布，并促进水解离，从而增强电催化活性。具有-0.5%压缩应变的CoPt3Pd催化剂表现出优异的析氢活性，在1 A cm−2下的过电势为169 mV。我们的方法提供了一种通过原子尺寸不匹配来操纵金属间化合物的压缩应变的简单方法，对催化过程具有广泛的影响。