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Electrocatalytic carbon dioxide reduction is one of the very effective ways to achieve carbon neutrality, by converting CO 2 into fuels and high-value chemicals. Therefore, it is crucial to design efficient CO 2 reduction electrocatalysts and understand their reaction mechanism. Among various catalysts, diatomic catalysts (DACs) offer several advantages, including a wide range of reaction types, high stability, customizable design, high reaction selectivity, tunable electronic structure, and strong catalytic activity. It is thus crucial to understand the reaction mechanism of DACs in CO 2 reduction, especially the regulation of critical intermediates. In this review, we focus on the synthesis, structure-activity relationship, and application of DACs. Finally, some challenges and further prospects are also summarized, especially in terms of stability, product selectivity, and large-scale deployment. With the advancement of new materials and computational tools, DACs are poised to play increasingly important roles in CO 2 reduction, providing effective solutions for sustainable energy and environmental protection.
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Zhao et al. (2025) studied this question.
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