Understanding the self-reconstruction behavior and activity modulation mechanism of MOFs in alkaline electrocatalysis is important for developing efficient Ru-based catalysts. As Co-based MOFs, leaf-shaped zeolitic imidazolate framework (ZIF-L) crystals can be partially self-reconstructed to Co(OH)2 by in situ alkaline electrochemical methods. In this regard, two models of ZIF@Ru/NF and Co(OH)2-ZIF@Ru/NF were fabricated, and calculated by DFT. The results showed that the Co(OH)2-ZIF heterointerface generated by self-reconstruction effectively modulated the chemical and electronic environment of Ru, leading to enhanced HER performance. Therefore, Co(OH)2-ZIF@Ru/NF was in situ grown on nickel foam (NF), using ZIF@Ru/NF as a precursor. After LSV activation, the leaf-shaped ZIF-L transformed into finely fragmented nanosheets of Co(OH)2. As anticipated, the Co(OH)2-ZIF@Ru/NF catalyst demonstrated superior electrocatalytic performance compared to numerous reported counterparts, exhibiting an overpotential of 22 mV at a current density of 10 mA cm−2 and a Tafel slope of 16.9 mV dec−1. This study presents a viable method for the preparation of HER electrocatalysts using electrochemical in situ self-reconstruction.

中文翻译：

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自重构的 ZIF-L/Co（OH）2 异质界面调节 Ru 的电子结构并促进电催化析氢


了解 MOF 在碱性电催化中的自重构行为和活性调控机制对于开发高效的 Ru 基催化剂非常重要。作为钴基 MOFs，叶状沸石咪唑酸盐框架 （ZIF-L） 晶体可以通过原位碱性电化学方法部分自我重构为 Co（OH）2。在这方面，制作了 ZIF@Ru/NF 和 Co（OH）2-ZIF@Ru/NF 两种模型，并通过 DFT 计算。结果表明，自重构产生的 Co（OH）2-ZIF 异质界面有效地调节了 Ru 的化学和电子环境，从而提高了 HER 性能。因此，Co（OH）2-ZIF@Ru/NF 以 ZIF@Ru/NF 为前驱体，在泡沫镍 （NF） 上原位生长。LSV 活化后，叶状 ZIF-L 转化为 Co（OH）2 的精细碎裂纳米片。正如预期的那样，与许多已报道的同类催化剂相比，Co（OH）2-ZIF@Ru/NF 催化剂表现出优异的电催化性能，在 10 mA cm-2 的电流密度下表现出 22 mV 的过电位和 16.9 mV dec-1 的塔菲尔斜率。本研究提出了一种利用电化学原位自重构制备 HER 电催化剂的可行方法。