Multiscale Theoretical Calculations Empower Robust Electric Double Layer Toward Highly Reversible Zinc Anode.

ABSTRACT: The electric double layer (EDL) at the electrochemical interface is crucial for ion transport, charge transfer, and surface reactions in aqueous rechargeable zinc batteries (ARZBs). However, Zn anodes routinely encounter persistent dendrite growth and parasitic reactions, driven by the inhomogeneous charge distribution and water-dominated environment within the EDL. Compounding this, classical EDL theory, rooted in mean-field approximations, further fails to resolve molecular-scale interfacial dynamics under battery-operating conditions, limiting mechanistic insights. Herein, we established a multiscale theoretical calculation framework from single molecular characteristics to interfacial ion distribution, revealing the EDL's structure and interactions between different ions and molecules,

SUBMITTER: Xia Y 

PROVIDER: S-EPMC12738512 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature