Cu<sup>2+</sup> Intercalation and Structural Water Enhance Electrochemical Performance of Cathode in Zinc-Ion Batteries
This study investigates the performance of Cu-intercalated V<sub>3</sub>O<sub>7</sub>·H<sub>2</sub>O (CuVOH) as a cathode material for aqueous zinc-ion batteries (AZIBs). Density Functional Theory (DFT) calculations were conducted to explore the effects of Cu<s...
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2025-07-01
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| author | He Lin Mengdong Wei Yu Zhang |
| author_facet | He Lin Mengdong Wei Yu Zhang |
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| description | This study investigates the performance of Cu-intercalated V<sub>3</sub>O<sub>7</sub>·H<sub>2</sub>O (CuVOH) as a cathode material for aqueous zinc-ion batteries (AZIBs). Density Functional Theory (DFT) calculations were conducted to explore the effects of Cu<sup>2+</sup> incorporation and structural water on the electrochemical performance of VOH. The results indicated that Cu<sup>2+</sup> and structural water enhance Zn<sup>2+</sup> diffusion by reducing electrostatic resistance and facilitating faster transport. Based on these insights, CuVOH nanobelts were synthesized via a one-step hydrothermal method. The experimental results confirmed the DFT predictions, demonstrating that CuVOH exhibited an initial discharge capacity of 336.1 mAh g<sup>−1</sup> at 0.2 A g<sup>−1</sup> and maintained a high cycling stability with 98.7% retention after 1000 cycles at 10 A g<sup>−1</sup>. The incorporation of Cu<sup>2+</sup> pillars and interlayer water improved the structural stability and Zn<sup>2+</sup> diffusion, offering enhanced rate performance and long-term cycling stability. The study highlights the effective integration of computational and experimental methods to optimize cathode materials for high-performance AZIBs, providing a promising strategy for the development of stable and efficient energy storage systems. |
| format | Article |
| id | doaj-art-c3f0e4a0529c40eb90cc8484466f8005 |
| institution | Kabale University |
| issn | 1420-3049 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj-art-c3f0e4a0529c40eb90cc8484466f80052025-08-20T03:36:36ZengMDPI AGMolecules1420-30492025-07-013015309210.3390/molecules30153092Cu<sup>2+</sup> Intercalation and Structural Water Enhance Electrochemical Performance of Cathode in Zinc-Ion BatteriesHe Lin0Mengdong Wei1Yu Zhang2State Key Laboratory of Chemistry and Utilization of Carbon-Based Energy Resources, College of Chemistry, Xinjiang University, Urumqi 830017, ChinaState Key Laboratory of Chemistry and Utilization of Carbon-Based Energy Resources, College of Chemistry, Xinjiang University, Urumqi 830017, ChinaState Key Laboratory of Chemistry and Utilization of Carbon-Based Energy Resources, College of Chemistry, Xinjiang University, Urumqi 830017, ChinaThis study investigates the performance of Cu-intercalated V<sub>3</sub>O<sub>7</sub>·H<sub>2</sub>O (CuVOH) as a cathode material for aqueous zinc-ion batteries (AZIBs). Density Functional Theory (DFT) calculations were conducted to explore the effects of Cu<sup>2+</sup> incorporation and structural water on the electrochemical performance of VOH. The results indicated that Cu<sup>2+</sup> and structural water enhance Zn<sup>2+</sup> diffusion by reducing electrostatic resistance and facilitating faster transport. Based on these insights, CuVOH nanobelts were synthesized via a one-step hydrothermal method. The experimental results confirmed the DFT predictions, demonstrating that CuVOH exhibited an initial discharge capacity of 336.1 mAh g<sup>−1</sup> at 0.2 A g<sup>−1</sup> and maintained a high cycling stability with 98.7% retention after 1000 cycles at 10 A g<sup>−1</sup>. The incorporation of Cu<sup>2+</sup> pillars and interlayer water improved the structural stability and Zn<sup>2+</sup> diffusion, offering enhanced rate performance and long-term cycling stability. The study highlights the effective integration of computational and experimental methods to optimize cathode materials for high-performance AZIBs, providing a promising strategy for the development of stable and efficient energy storage systems.https://www.mdpi.com/1420-3049/30/15/3092zinc-ion batteriescathode materialscopperstructural water |
| spellingShingle | He Lin Mengdong Wei Yu Zhang Cu<sup>2+</sup> Intercalation and Structural Water Enhance Electrochemical Performance of Cathode in Zinc-Ion Batteries Molecules zinc-ion batteries cathode materials copper structural water |
| title | Cu<sup>2+</sup> Intercalation and Structural Water Enhance Electrochemical Performance of Cathode in Zinc-Ion Batteries |
| title_full | Cu<sup>2+</sup> Intercalation and Structural Water Enhance Electrochemical Performance of Cathode in Zinc-Ion Batteries |
| title_fullStr | Cu<sup>2+</sup> Intercalation and Structural Water Enhance Electrochemical Performance of Cathode in Zinc-Ion Batteries |
| title_full_unstemmed | Cu<sup>2+</sup> Intercalation and Structural Water Enhance Electrochemical Performance of Cathode in Zinc-Ion Batteries |
| title_short | Cu<sup>2+</sup> Intercalation and Structural Water Enhance Electrochemical Performance of Cathode in Zinc-Ion Batteries |
| title_sort | cu sup 2 sup intercalation and structural water enhance electrochemical performance of cathode in zinc ion batteries |
| topic | zinc-ion batteries cathode materials copper structural water |
| url | https://www.mdpi.com/1420-3049/30/15/3092 |
| work_keys_str_mv | AT helin cusup2supintercalationandstructuralwaterenhanceelectrochemicalperformanceofcathodeinzincionbatteries AT mengdongwei cusup2supintercalationandstructuralwaterenhanceelectrochemicalperformanceofcathodeinzincionbatteries AT yuzhang cusup2supintercalationandstructuralwaterenhanceelectrochemicalperformanceofcathodeinzincionbatteries |