Tailoring the electronic structure to enable rapid Li-ion diffusion and a stabilized LiF-LiCl rich electrode-electrolyte interface.

ABSTRACT: The chemical composition of the solid electrolyte interphase (SEI) at the Li anode/electrolyte interface is critical to the performance of lithium metal batteries. Herein, we designed a functional ionic salt (DG-Cl) with a π-conjugated structure, aiming to enhance the electronic delocalization of the filler to regulate the bond-breaking kinetics and promote the formation of the effective components of the SEI. Density functional theory (DFT) verifies that DG-Cl is capable of releasing Cl^- directionally under an electric field and subsequently combining with Li⁺ to form LiCl. Simultaneously, DG-Cl can anchor TFSI^- via cation vacancies. Besides, through its strong electron delocalization capability, DG-Cl could facilitate the cleavage of C-F bonds of T

SUBMITTER: Su S 

PROVIDER: S-EPMC12461286 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature