Universal and Interpretable Descriptor to Design Dual-atom Catalysts for Multi-Type C-C Coupling with Ultrahigh C₂₊ Yield.

ABSTRACT: Dual-atom catalysts (DACs) have demonstrated superior performance in the C─C coupling processes to generate multi-carbon (C₂₊) products due to the multiple metal sites of DACs. However, the rational design of DACs that exhibit high activity and specific selectivity for the C─C coupling process in the CO₂ reaction remains a significant challenge due to the intricate inter-metal interaction. Herein, a universal and interpretable descriptor is proposed for the emerging metal-nitrogen-carbon (M₁-M₂-N₄-C) dual-atom catalysts in the CH^*─CH^* coupling process, effectively evaluating the activity and selectivity for various C─C coupling (i.e., CH^*─CH^*, CO^*─CO^*, CHO^*─CO

SUBMITTER: Gao Y 

PROVIDER: S-EPMC12677638 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature