The conversion of thermodynamically inert CO into methanol holds immense promise for addressing the pressing environmental and energy challenges of our time. This article offers a succinct overview of the development of single-atom catalysts (SACs) for thermochemical hydrogenation of CO to methanol, encompassing research advancements, advantages, potential hurdles, and other essential aspects related to these catalysts. Our aim of this work is to provide a deeper understanding of the intricacies of the catalytic structures of the single-atom sites and their unique structure-activity relationships in catalyzing the conversion of CO to methanol. We also present insights into the optimal design of SACs, drawing from our own research and those of fellow scientists. This research thrust is poised to contribute significantly to the development of next-generation SACs, which are crucial in advancing the sustainable production of methanol from CO.
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