Journal
ADVANCED FUNCTIONAL MATERIALS
Volume 24, Issue 29, Pages 4603-4614Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/adfm.201400561
Keywords
Na-ion batteries; cathode materials; fluorophosphates; first-principle calculations; sodium
Categories
Funding
- Human Resources Development program of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) [20124010203320]
- World Premier Materials grant - Korea government Ministry of Trade, Industry and Energy
- Supercomputing Center/Korea Institute of Science and Technology Information [KSC-2012-C2-78]
- Research Center Program of IBS (Institute for Basic Science) in Korea
- NRF (National Research Foundation of Korea) - Korean Government
- Korea Evaluation Institute of Industrial Technology (KEIT) [20124010203320, 10037920] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
- National Research Foundation of Korea [2012M2A2A6004260] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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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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