Combining 7Li NMR field-cycling relaxometry and stimulated-echo experiments: A powerful approach to lithium ion dynamics in solid-state electrolytes

Graf, Magnus Frederic; Kresse, B.; Privalov, A. F.; Vogel, Michael

doi:10.1016/j.ssnmr.2013.01.001

Cited by 29 publications

(20 citation statements)

References 57 publications

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“…17, 18 We note in passing that the assumption of isotropic dynamics is not perfectly, but still approximately correct, as will become clear in the subsequent line-shape analysis from the observation of a dominant Lorentzian line at high temperatures. While we find a mono-exponential buildup of the magnetization in all 7 Li SLR studies on LiPS-GC, we observe a two-step buildup for LiPS-GL in the high-field measurements.…”

Section: 1mentioning

confidence: 96%

“…In particular, 7 Li spin-lattice relaxation (SLR) analysis has a long-standing tradition in studies of local lithium ion dynamics in solid electrolytes. [13][14][15][16] While traditional approaches used a single or, occasionally, a few magnetic fields B 0 and, thus, Larmor frequencies ω L , recent studies showed that 7 Li field cycling (FC) enables measurements of the SLR time T 1 in a broad continuous range of ω L values, 17,18 providing straightforward access to the frequency-dependent spectral density of the lithium ion jump motion. In addition to these studies of lithium ion dynamics on local scales in homogeneous magnetic fields, 7 Li NMR experiments in magnetic field gradients allow one to observe lithium ion diffusion on mesoscopic scales on the order of 1 µm, in particular, to measure the selfdiffusion coefficient D.…”

Section: -7mentioning

confidence: 99%

“…Motivated by previous FC work, 26 including our 7 Li FC studies, 17,18 we exploit the fluctuation-dissipation relation between the imaginary parts of dynamic susceptibilities and the spectral densities, χ ′′ (ω) = ωJ(ω), and present the results in the form of a generalized 'NMR susceptibiliy' defined as χ…”

Section: 13mentioning

confidence: 99%

“…18 At such low frequencies and, hence, low magnetic fields, the Zeeman interaction is weak. Moreover, at sufficiently low temperatures, the quadrupolar interaction is not averaged by lithium ion motion.…”

Section: 29mentioning

confidence: 99%

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Relation of short-range and long-range lithium ion dynamics in glass-ceramics: Insights fromLi7NMR field-cycling and field-gradient studies

2017

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Section: 1mentioning

confidence: 96%

Section: -7mentioning

confidence: 99%

Section: 13mentioning

confidence: 99%

Section: 29mentioning

confidence: 99%

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Relation of short-range and long-range lithium ion dynamics in glass-ceramics: Insights fromLi7NMR field-cycling and field-gradient studies

2017

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“…However, the role of metastable crystalline phases in glass ceramics is still unclear. In order to understand the mechanism responsible for the high conductivities of the binary Li 2 S-P 2 S 5 system experimentally, several groups have studied the Li + diffusion profiles using 6/7 Li solid-state nuclear magnetic resonance spectroscopy (NMR) measurements (Graf et al, 2013;Hayamizu and Aihara, 2013;Hayamizu et al, 2014;Murakami et al, 2015). NMR is a powerful tool and provides many findings such as the rate of ionic motion.…”

Section: Introductionmentioning

confidence: 99%

Structure and Ionic Conductivity of Li2S–P2S5 Glass Electrolytes Simulated with First-Principles Molecular Dynamics

Baba

Kawamura

2016

Front. Energy Res.

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Lithium thiophosphate-based materials are attractive as solid electrolytes in all-solidstate lithium batteries because glass or glass-ceramic structures of these materials are associated with very high conductivity. In this work, we modeled lithium thiophosphates with amorphous structures and investigated Li + mobilities by using molecular dynamics calculations based on density functional theory (DFT-MD). The structures of xLi 2 S-(100 − x)P 2 S 5 (x = 67, 70, 75, and 80) were created by randomly identifying appropriate compositions of Li + , PS The implication is that these amorphous structures are metastable. There was good agreement between calculated and experimental structure factors determined from X-ray scattering. The differences between the structure factors of amorphous structures were small, except for the first sharp diffraction peak, which was affected by the environment between Li and S atoms. Li + diffusion coefficients obtained from DFT-MD calculations at various temperatures for picosecond simulation times were on the order of 10 −3 -10 −5 Å 2 /ps. Ionic conductivities evaluated by the Nernst-Einstein relationship at 298.15 K were on the order of 10 −5 S/cm. The ionic conductivity of the amorphous structure with x = 75 was the highest among the amorphous structures because there was a balance between the number density and diffusibility of Li + . The simulations also suggested that isolated S atoms suppress Li + migration.

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Review for Advanced NMR Characterization of Carbon‐Based and Metal Anodes in Sodium Batteries

Chen,

Dong,

Lai

et al. 2024

Adv Funct Materials

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Battery performance is highly related to the intrinsic properties of battery materials. To develop commercial anode electrode materials for advanced sodium‐based batteries, it is crucial to understand whose fundamental issues including compositions and structure of the bulk and interface, dynamics and electrochemical reactions during cycling. The key for present and ongoing success of carbon‐based and sodium metal anode is to overcome an intrinsic challenge associated with transport and storage of ions and complicated interface activities, especially for the sodiation process with associated risk of dendrite. Advanced Nuclear Magnetic Resonance (NMR) technique has unique advantages in characterizing the local or microstructure of anode electrode materials and their interfacial evolutions down to the atomic level by a noninvasive and nondestructive manner. In this review, an overview is provided of the recent advances in understanding the fundamental issues of carbon based and sodium metal anode materials using advanced NMR approaches. Here, latest advancements of NMR are presented for applications in characterizing structures and dynamics of anode electrode material as well as their interfacial evolutions. Finally, the prospect and limitation of NMR techniques in batteries research will be highlighted, thereby paving the way for accelerating the development of next generation sodium batteries.

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Combining 7Li NMR field-cycling relaxometry and stimulated-echo experiments: A powerful approach to lithium ion dynamics in solid-state electrolytes

Cited by 29 publications

References 57 publications

Relation of short-range and long-range lithium ion dynamics in glass-ceramics: Insights fromLi7NMR field-cycling and field-gradient studies

Relation of short-range and long-range lithium ion dynamics in glass-ceramics: Insights fromLi7NMR field-cycling and field-gradient studies

Structure and Ionic Conductivity of Li2S–P2S5 Glass Electrolytes Simulated with First-Principles Molecular Dynamics

Review for Advanced NMR Characterization of Carbon‐Based and Metal Anodes in Sodium Batteries

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