Journal Article

FZJ-2017-02900

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Observing different modes of mobility in lithium titanate spinel by nuclear magnetic resonance

Graf, M. F. (Corresponding author)FZJ*RWTH* ; Tempel, H.FZJ* ; Köcher, S. S.FZJ* ; Schierholz, R.FZJ* ; Scheurer, C. ; Kungl, H.FZJ* ; Eichel, R.-A.FZJ*RWTH* ; Granwehr, J.FZJ*RWTH*

2017
RSC Publishing London

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Please use a persistent id in citations: http://hdl.handle.net/2128/14965  doi:10.1039/C7RA01622K

Abstract: Lithium titanate (LTO) is a spinel material that is able to reversibly intercalate Li ions with minimal changes of the unit cell dimensions (“zero-strain”), making it an attractive choice as anode material for Li ion batteries. However, the nature of the Li transport in this material is still not fully understood. Here, the Li mobility in Li4+xTi5O12 with x = 0 and x ≈ 1.6 is investigated. By regularized inversion of nuclear magnetic resonance (NMR) relaxation and spin alignment echo (SAE) data and supported by DFT simulations, solid-state NMR spectra were analyzed as a function of the respective relaxation times and correlation time constants. A clear correlation between mobility and NMR spectral features was observed, suggesting the presence of local domains with high Li ion mobility. The long-range mobility is limited by the much slower hopping between such domains and appears to be faster for either larger or less ordered local domains. For x ≈ 1.6, spectral features indicate the formation of separate stoichiometric and overlithiated phases rather than a solid solution, yet no segregation into a fast and a slow component was observed in the relaxation and in the SAE dimension, which points towards an entangling of the two phases on a microscopic scale.

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Contributing Institute(s):

1. Grundlagen der Elektrochemie (IEK-9)

Research Program(s):

1. 131 - Electrochemical Storage (POF3-131) (POF3-131)
2. HITEC - Helmholtz Interdisciplinary Doctoral Training in Energy and Climate Research (HITEC) (HITEC-20170406) (HITEC-20170406)

Appears in the scientific report 2017

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Database coverage:
; ; ; Current Contents - Physical, Chemical and Earth Sciences ; IF < 5 ; NCBI Molecular Biology Database ; Nationallizenz ; SCOPUS ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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