Comprehensive Analyses of Aqueous Zn Metal Batteries: Characterization Methods, Simulations, and Theoretical Calculations

Abstract Aqueous zinc metal batteries (AZMBs) are regarded as competitive candidates for next‐generation energy storage owing to their low cost, high performance, high safety, and high environmental friendliness. However, serious issues, including Zn dendrites, chemical corrosion, H 2 evolution, and sluggish Zn 2+ diffusion kinetics, have largely impeded the commercial application of AZMBs. To understand these issues in depth and identify countermeasures, comprehensive analyses of AZMBs have continuously been developed. In this review, a detailed overview of the analytical techniques used to study AZMBs, including characterization methods, simulations, and theoretical calculations is presented, which provides a comprehensive toolbox for further research. Conventional characterization methods that provide preliminary information are first summarized. Various in situ techniques, including visualization and spectral characterization, are then discussed. These advanced real‐time monitoring techniques contribute to a deeper understanding of the battery failure mechanism. Simulations and theoretical calculations are then presented in detail, enabling an in‐depth investigation of the mechanism at the atomic level. Theoretical analyses can not only explore the mechanism in more detail, but also play a key role in guiding research and predicting future directions. Finally, the challenges and perspective of comprehensive analyses of AZMBs are discussed.