Mechanism of High-Rate Cycling Stability of Anthraquinone Cathode for Aqueous Zinc-Ion Batteries

Aqueous zinc-ion batteries (ZIBs) are an appealing rechargeable battery technology for next-generation energy storage devices, known their low cost and high safety. Among the promising cathode materials used aqueous ZIBs, anthraquinone (AQ) stands out due to its theoretical specific capacity, cost, environmental friendliness. In this study, we investigate cyclic stability of AQ in ZIBs. We demonstrate that exhibits a good capacity retention at current density even after 1000 charge–discharge cycles, while more obvious fading is observed density. Density functional theory calculations reveal mechanism rapid under significant structural deformation crystal during Zn insertion into bulk. Furthermore, barrier ions diffuse bulk much higher than on surface, leading irreversible insertion. However, density, prefer adsorb surface without deformation, rending cycling stability. These insights factors influencing AQ-based electrodes offer guidance improve performance practical applications.