Manipulating Spin States by Metal Axial Coordination of Active Sites for Generating Valuable CH₄ in CO₂ Reduction.

ABSTRACT: Dual-atom catalysts (DACs) exhibit superior catalytic performance with more active sites and diverse electronic structures. However, electronic spin state as the crucial factor is rarely explicitly studied, and the in-depth understanding of the electronic structures remains a great challenge. Herein, double-solvent method is adopted to encapsulate the Ni and Mn ions into the channels of Mn-based ZIF -8 (Ni→Mn DAC) and Ni-based ZIF -8 (Mn→Ni DAC), respectively. The introduced metal exhibits axial coordination around the metal active site with the distinct coordination environments, indicating the diverse electronic structures. Experimental investigations and theoretical calculations demonstrate that the improved CO₂ reduction (CO₂RR) activity of Ni→Mn DAC derives from

SUBMITTER: Zhang M 

PROVIDER: S-EPMC12822474 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature