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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

Author(s)
Park, Young-UkSeo, Dong-HwaKim, HyungsubKim, JongsoonLee, SeongsuKim, ByoungkookKang, Kisuk
Issued Date
2014-08
DOI
10.1002/adfm.201400561
URI
https://scholarworks.unist.ac.kr/handle/201301/30535
Fulltext
https://onlinelibrary.wiley.com/doi/full/10.1002/adfm.201400561
Citation
ADVANCED FUNCTIONAL MATERIALS, v.24, no.29, pp.4603 - 4614
Abstract
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.
Publisher
WILEY-V C H VERLAG GMBH
ISSN
1616-301X
Keyword (Author)
Na-ion batteriescathode materialsfluorophosphatesfirst-principle calculationssodium
Keyword
SODIUM RECHARGEABLE BATTERIESELECTROCHEMICAL PROPERTIESENERGY-STORAGEELECTRODE PERFORMANCECRYSTAL-STRUCTURELITHIUMFLUOROPHOSPHATENA3V2O2X(PO4)(2)F3-2XPYROPHOSPHATEDIFFRACTION

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