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rdf:type
lifeskim:mentions
pubmed:issue
30
pubmed:dateCreated
2009-9-2
pubmed:abstractText
The structural transformations that occur when FeF(3) is cycled at room temperature in a Li cell were investigated using a combination of X-ray diffraction (XRD), pair distribution function (PDF) analysis, and magic-angle-spinning NMR spectroscopy. Two regions are seen on discharge. The first occurs between Li = 0 and 1.0 and involves an insertion reaction. This first region actually comprises two steps: First, a two-phase reaction between Li = 0 and 0.5 occurs, and the Li(0.5)FeF(3) phase that is formed gives rise to a Li NMR resonance due to Li(+) ions near both Fe(3+) and Fe(2+) ions. On the basis of the PDF data, the local structure of this phase is closer to the rutile structure than the original ReO(3) structure. Second, a single-phase intercalation reaction occurs between Li = 0.5 and 1.0, for which the Li NMR data indicate a progressive increase in the concentration of Fe(2+) ions. In the second region, the conversion reaction, superparamagnetic, nanosized ( approximately 3 nm) Fe metal is formed, as indicated by the XRD and NMR data, along with some LiF and a third phase that is rich in Li and F. The charge process involves the formation of a series of intercalation phases with increasing Fe oxidation state, which, on the basis of the Li NMR and PDF data, have local structures that are similar to the intercalation phases seen during the first stage of the discharge process. The solid-state NMR and XRD results for the rutile phase FeF(2) are presented for comparison, and the data indicate that an insertion reaction also occurs, which is accompanied by the formation of LiF. This is followed by the formation of Fe nanoparticles and LiF via a conversion reaction.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Aug
pubmed:issn
1520-5126
pubmed:author
pubmed:issnType
Electronic
pubmed:day
5
pubmed:volume
131
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
10525-36
pubmed:year
2009
pubmed:articleTitle
Identifying the local structures formed during lithiation of the conversion material, iron fluoride, in a Li ion battery: a solid-state NMR, X-ray diffraction, and pair distribution function analysis study.
pubmed:affiliation
Department of Chemistry, SUNY Stony Brook, Stony Brook, New York 11794-3400, USA.
pubmed:publicationType
Journal Article