This mini-review highlights some recent progress in the engineering of single-atom catalysts (SACs) through metal–organic frameworks (MOFs) and derivatives. The inherent molecular and chemical specificities within the MOFs and derivatives can offer stabilisation of the SACs with high atomic isolation and dispersion. As MOFs are often considered an infinite array of self-assembled molecular catalysts, specifically designed structures can provide further functionalities to suit the needs of different catalytic applications. In brief, we can divide the preparation approaches into three main categories: (1) fabrication onto functional groups of the ligands, (2) fabrication onto Lewis acid sites of nodal centres, and (3) synthesis via a pyrolysis-mediated technique. Through these approaches, strong metal–support interactions can be established to aid the fine-tuning of the catalytic properties. We also discuss how recent progress in the development of state-of-the-art microscopic, spectroscopic, and crystallographic techniques has enabled scientists to elucidate the structure–activity relationship.

这份小型回顾着重介绍了通过金属有机骨架（MOF）及其衍生物在单原子催化剂（SAC）工程方面的最新进展。MOF和衍生物中固有的分子和化学特异性可以通过高度的原子隔离和分散作用使SAC稳定。由于MOF通常被认为是无限数量的自组装分子催化剂，因此经过特殊设计的结构可以提供进一步的功能，以满足不同催化应用的需求。简而言之，我们可以将制备方法分为三个主要类别：（1）在配体的官能团上进行制备；（2）在节点中心的路易斯酸位点上进行制备；以及（3）通过热解介导的技术进行合成。通过这些方法，可以建立强烈的金属-载体相互作用，以帮助催化特性的微调。我们还将讨论最新的显微技术，光谱学和晶体学技术的发展如何使科学家阐明结构与活性之间的关系。