Axial and Asymmetric Coordination Coupling Adjust the Electronic Structure of Single-Atom Zinc Sites for Efficient Electroreduction of Carbon Dioxide.

ABSTRACT: Breaking the symmetric structure of active centers to adjust their electronic structure is a promising strategy for improving the performance of single-atom catalysts (SACs) in electrocatalytic carbon dioxide (CO₂) reduction (ECR). However, it remains highly challenging to achieve precise regulation and fine-tuning of single-atom sites at the atomic level. Here, by introducing S and Cl atoms, a Zn-SAC (ZnN₃S₁Cl/C) with coupled axial and asymmetric coordination is successfully constructed, thereby enhancing the ECR performance. In situ attenuated total reflection infrared spectroscopy demonstrates that ZnN₃S₁Cl/C promotes the formation of ^*COOH and the desorption of ^*CO species. Theoretical calculations show that t

SUBMITTER: Guo C 

PROVIDER: S-EPMC12622441 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature