期刊
ADVANCED FUNCTIONAL MATERIALS
卷 24, 期 27, 页码 4265-4272出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/adfm.201400173
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资金
- 973 Projects [2010CB833102, 2012CB932900]
- NSFC [51222210, 51071171, 11234013, 11174334, 11205249]
- 100 Talent Project of the Chinese Academy of Sciences
Na3V2(PO4)(3) is one of the most important cathode materials for sodiumion batteries, delivering about two Na extraction/insertion from/into the unit structure. To understand the mechanism of sodium storage, a detailed structure of rhombohedral Na3V2(PO4)(3) and its sodium extracted phase of NaV2(PO4)(3) are investigated at the atomic scale using a variety of advanced techniques. It is found that two different Na sites (6b, M1 and 18e, M2) with different coordination environments co-exist in Na3V2(PO4)(3), whereas only one Na site (6b, M1) exists in NaV2(PO4)(3). When Na is extracted from Na3V2(PO4)(3) to form NaV2(PO4)(3), Na+ occupying the M2 site (CN = 8) is extracted and the rest of the Na remains at M1 site (CN = 6). In addition, the Na atoms are not randomly distributed, possibly with an ordered arrangement in M2 sites locally for Na3V2(PO4)(3). Na+ ions at the M1 sites in Na3V2(PO4)(3) tend to remain immobilized, suggesting a direct M2- to -M2 conduction pathway. Only Na occupying the M2 sites can be extracted, suggesting about two Na atoms able to be extracted from the Na3V2(PO4)(3) structure.
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