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  • Synergistic Theoretical and...
    He, Lin; Xu, Jing; Zhang, Yu

    Molecules (Basel, Switzerland), 06/2024, Volume: 29, Issue: 12
    Journal Article

    This study explores the enhancement of aqueous zinc-ion batteries (AZIBs) using ammonium-enhanced vanadium oxide cathodes. Density Functional Theory (DFT) calculations reveal that NH4+ incorporation into V6O16 lattices significantly facilitates Zn2+ ion diffusion by reducing electrostatic interactions, acting as a structural lubricant. Subsequent experimental validation using (NH4)2V6O16 cathodes synthesized via a hydrothermal method corroborates the DFT findings, demonstrating remarkable electrochemical stability with a capacity retention of 90% after 2000 cycles at 5 A g−1. These results underscore the potential of NH4+ in improving the performance and longevity of AZIBs, providing a pathway for sustainable energy storage solutions.