NMR studies of cation transport in the crystalline ion conductors MCF3SO3 (M=Li, Na) and Li7TaO6

Wuellen, Leo van; Sofina, Natalia; Hildebrandt, Lars; Muehle, Claus; Jansen, Martin

doi:10.1016/j.ssi.2006.04.053

Cited by 19 publications

(29 citation statements)

References 20 publications

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“…in crystalline Li ion conductors. [41][42][43] In this situation, which is oen termed anisotropic diffusion, the effective EFG, averaged over these positions, does not average to zero, but to a small residual value.…”

Section: Solid State Nmr Spectroscopymentioning

confidence: 99%

Low-activated Li-ion mobility and metal to semiconductor transition in CdP₂@Li phases

et al. 2015

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Solids with high ion mobility are of broad interest for energy storage applications. New systems featuring low-activated ion mobility are important to improve the performance in such systems. Herein we report on a model system dealing with such improved properties. Li 0.2 CdP 2 was synthesized from the elements, lithium as structure stabilizer and CdI 2 as reaction promoters in sealed silica ampoules at 823 K. It crystallizes tetragonal, in space group I4 1 22 (a-CdAs 2 structure type), with lattice parameters a ¼ 7.6691(8)Å, c ¼ 4.4467(4)Å and V ¼ 261.53(4)Å 3 . After 24 h of storage in air lithium ions can be removed in a spontaneous delithiation reaction resulting in Li(OH)$H 2 O formation on the surface of the crystals. Formed a 0 -CdP 2 adopts the a-CdAs 2 structure type. Both compounds consist of isolated cadmium atoms and helical 1 N [P À ]-chains generating empty channels suitable to accommodate Li ions. The heavy atom structure was determined by X-ray diffraction methods while a full model including lithium was derived from a combined solid state NMR and quantum chemical calculation approach. An low activation barrier range in the order of 0.1 to 0.2 eV was determined by NMR spectroscopy pointing towards an extraordinary high Li mobility in Li 0.2 CdP 2 . Of course a Cd-based solid will have certain disadvantages like toxicity and mass for storage applications but substitution of Cd by suitable lighter elements can solve this issue.

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Section: Solid State Nmr Spectroscopymentioning

confidence: 99%

Low-activated Li-ion mobility and metal to semiconductor transition in CdP₂@Li phases

et al. 2015

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“…If the shift interactions dominate, the acquisition of 2D spectra is straightforward. Such a situation can typically be achieved if MAS at sufficiently high spinning rates is employed [114][115][116].…”

Section: Two-dimensional Spectroscopymentioning

confidence: 99%

“…Another useful example that demonstrates how conductivity pathways can be mapped out using 2D spectroscopy is a recent 6 Li study of Li 7 TaO 6 [116]. The measurements were performed over a wide temperature range.…”

Section: D Exchange Spectroscopy Exploiting Shift Interactionsmentioning

confidence: 99%

Solid-state Li NMR with applications to the translational dynamics in ion conductors

Böhmer

Jeffrey

Vogel

2007

Progress in Nuclear Magnetic Resonance Spectroscopy

225

232

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“…In particular, it is of interest to study Li self-diffusion parameters over long distances from an atomic point of view, that is, with the help of a microscopic technique. [28] Restricting ourselves to nuclear magnetic resonance (NMR) spectroscopy here, [28][29][30] apart from a few studies [31][32][33][34][35] such relatively direct observations of cation hopping dynamics have usually not been obtainable. In the present Minireview we will show how this can be achieved by using newly established 6,7 Li spinalignment echo (SAE) NMR spectroscopy.…”

Section: Introductionmentioning

confidence: 99%

“…Of course, to a certain degree this can also be achieved by the use of 6 Li high-resolution magic angle spinning (MAS) 2D exchange NMR spectroscopy, which can additionally provide valuable information about site-specific jump rates. [31][32][33][34][35]48] In contrast to SAE NMR spectroscopy, the 2D exchange technique requires that the NMR signals of distinct crystallographic sites are well separated from each other. This is, for example, clearly the case in crystalline Li 4 SiO 4 , which served as the first model substance in the pioneering work of Xu et al to study Li exchange processes via multiple crystallographic sites in this silicate structure.…”

Section: Introductionmentioning

confidence: 99%

From Micro to Macro: Access to Long‐Range Li⁺ Diffusion Parameters in Solids via Microscopic ^6, 7Li Spin‐Alignment Echo NMR Spectroscopy

2011

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The development of highly conductive solids is a rapidly growing research area in materials science. In particular, the study of Li-ion conductors is driven by the ambitious effort to design powerful lithium-ion batteries. A deeper understanding of Li dynamics in solids requires the availability of a large set of complementary techniques to probe Li self-diffusion on different length and time-scales. We report on (7)Li as well as (6)Li spin-alignment echo (SAE) nuclear magnetic resonance (NMR) spectroscopy, which is capable of probing long-range diffusion parameters from a microscopic, that is, atomic-scale, point of view. So far, variable-temperature SAE NMR spectroscopy has been applied to a number of polycrystalline and glassy Li-ion conductors. The materials investigated serve as model systems to unravel the interesting features of the technique in determining reliable Li jump rates and hopping activation energies. In particular, the latter are compared with those probed by macroscopic techniques such as dc-conductivity measurements that are sensitive to long-range translational motions.

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NMR studies of cation transport in the crystalline ion conductors MCF3SO3 (M=Li, Na) and Li7TaO6

Cited by 19 publications

References 20 publications

Low-activated Li-ion mobility and metal to semiconductor transition in CdP₂@Li phases

Low-activated Li-ion mobility and metal to semiconductor transition in CdP₂@Li phases

Solid-state Li NMR with applications to the translational dynamics in ion conductors

From Micro to Macro: Access to Long‐Range Li⁺ Diffusion Parameters in Solids via Microscopic ^6, 7Li Spin‐Alignment Echo NMR Spectroscopy

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NMR studies of cation transport in the crystalline ion conductors MCF3SO3 (M=Li, Na) and Li7TaO6

Cited by 19 publications

References 20 publications

Low-activated Li-ion mobility and metal to semiconductor transition in CdP2@Li phases

Low-activated Li-ion mobility and metal to semiconductor transition in CdP2@Li phases

Solid-state Li NMR with applications to the translational dynamics in ion conductors

From Micro to Macro: Access to Long‐Range Li+ Diffusion Parameters in Solids via Microscopic 6, 7Li Spin‐Alignment Echo NMR Spectroscopy

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Low-activated Li-ion mobility and metal to semiconductor transition in CdP₂@Li phases

Low-activated Li-ion mobility and metal to semiconductor transition in CdP₂@Li phases

From Micro to Macro: Access to Long‐Range Li⁺ Diffusion Parameters in Solids via Microscopic ^6, 7Li Spin‐Alignment Echo NMR Spectroscopy