Axial Coordination Induced Electron Delocalization and p-p Orbital Hybridization in Single-Atom Catalysts Boosts Zn²⁺ Desolvation for Highly Stable Zn Anode.

ABSTRACT: Aqueous zinc-ion batteries have emerged as promising candidates for next-generation energy storage due to their superior safety and lower cost. However, the sluggish desolvation kinetics of hydrated zinc ions at anode causes critical issues, including dendritic growth, hydrogen evolution reaction (HER), and anode corrosion. Herein, taking Sb single-atoms (SAs) as a proof-of-concept, a F-axial coordination engineering strategy is proposed to accelerate the desolvation kinetics and thus ensure robust cycling stability of Zn anode. Theoretical calculations reveal that the electron delocalization triggered by F-axial coordination and p-p orbital hybridization between Sb and F atoms strengthens the affinity for Zn. Electrochemical analysis and in situ/ex situ spectroscopy characterizations demo

SUBMITTER: Dao Y 

PROVIDER: S-EPMC12822462 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature