S-Space College of Engineering/Engineering Practice School (공과대학/대학원) Dept. of Material Science and Engineering (재료공학부) Journal Papers (저널논문_재료공학부)
A Family of High-Performance Cathode Materials for Na-ion Batteries, Na-3(VO1-xPO4)(2) F1+2x (0 <= x <= 1): Combined First-Principles and Experimental Study
- Park, Young-Uk; Seo, Dong-Hwa; Kim, Hyungsub; Kim, Jongsoon; Lee, Seongsu; Kim, Byoungkook; Kang, Kisuk
- Issue Date
- Advanced Functional Materials, Vol.24 No.29, pp.4603-4614
- Na-ion batteries; cathode materials; fluorophosphates; first-principle calculations; sodium
- Room-temperature Na-ion batteries (NIBs) have recently attracted attention as potential alternatives to current Li-ion batteries (LIBs). The natural abundance of sodium and the similarity between the electrochemical properties of NIBs and LIBs make NIBs well suited for applications requiring low cost and long-term reliability. Here, the first successful synthesis of a series of Na-3(VO1-xPO4)(2)F1+2x (0 x 1) compounds as a new family of high-performance cathode materials for NIBs is reported. The Na-3(VO1-xPO4)(2)F1+2x series can function as high-performance cathodes for NIBs with high energy density and good cycle life, although the redox mechanism varies depending on the composition. The combined first-principles calculations and experimental analysis reveal the detailed structural and electrochemical mechanisms of the various compositions in solid solutions of Na-3(VOPO4)(2)F and Na3V2(PO4)(2)F-3. The comparative data for the Na (y) (VO1-xPO4)(2)F1+2x electrodes show a clear relationship among V3+/V4+/V5+ redox reactions, Na+-Na+ interactions, and Na+ intercalation mechanisms in NIBs. The new family of high-energy cathode materials reported here is expected to spur the development of low-cost, high-performance NIBs.
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