Lin, H.; Cai, X.; Zhang, Y. Zinc Storage Performance of Oxygen-Deficient NH4V3O8: Theoretical and Experimental Study. Inorganics2024, 12, 107.
Lin, H.; Cai, X.; Zhang, Y. Zinc Storage Performance of Oxygen-Deficient NH4V3O8: Theoretical and Experimental Study. Inorganics 2024, 12, 107.
Lin, H.; Cai, X.; Zhang, Y. Zinc Storage Performance of Oxygen-Deficient NH4V3O8: Theoretical and Experimental Study. Inorganics2024, 12, 107.
Lin, H.; Cai, X.; Zhang, Y. Zinc Storage Performance of Oxygen-Deficient NH4V3O8: Theoretical and Experimental Study. Inorganics 2024, 12, 107.
Abstract
Using density functional theory (DFT), the density of states of NH4V3O8 (NVO) was analyzed pre and post-oxygen defects (Od) formation. The findings revealed a reduced bandgap in NVO after Od introduction, emphasizing the role of Od in enhancing conductivity of the material, thus improving its electrochemical attributes. Through the water bath method, both NVO and its oxygen-deficient counterpart, (NH4)2V10O25⸱8H2O (NVOd), were synthesized as potential cathode materials for aqueous zinc-ion batteries (AZIBs). Experimental outcomes resonated with DFT predictions, highlighting the beneficial role of oxygen defects in boosting electrical conductivity. Notably, the refined material displayed a remarkable capacity of 479.3 mAh g-1 at 0.1 A g-1, underscoring its promise for advanced energy storage solutions.
Keywords
oxygen defects; density functional theory; aqueous zinc-ion batteries; vanadium oxides
Subject
Chemistry and Materials Science, Electrochemistry
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
