Neutron Scattering Studies of Lithium-Ion Diffusion in Ternary Phosphate Glasses

Hester, Gavin; Heitmann, Tom; Tyagi, Madhusudan; Rathore, Munesh; Dalvi, Anshuman; Mitra, Saibal

doi:10.1557/adv.2016.492

Cited by 8 publications

(5 citation statements)

References 14 publications

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“…Using QENS ion dynamics of different SSEs has been studied [93][94][95][96][97][98]. Mori et al [43] used state-of-the-art QENS to directly observe the self-diffusion of Li ions in a metastable Li 7 P 3 S 11 crystal.…”

Section: Second-quasi-elastic Neutron Scattering (Qens)mentioning

confidence: 99%

Applications of In Situ Neutron-Based Techniques in Solid-State Lithium Batteries

Abitonze

Diko

et al. 2022

Batteries

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Solid-state lithium batteries (SSLBs) have made significant progress in recent decades in response to increasing demands for improved safety and higher energy density. Nonetheless, the current state SSLBs are not suitable for wide commercial applications. The low ionic conductivity, lithium dendrites growth, and unstable interfaces between solid electrodes and electrolytes are some of the challenges that need to be overcome. Therefore, it is critical to fully comprehend the structural information of SSLBs at a nanometer scale. Neutron-based techniques (NBTs) are sensitive to light elements (H, Li, B, N, O, etc.) and can distinguish heavy metals (e.g., Mn, Fe, Co, Ni, etc.) containing close atomic numbers or even isotopes (e.g., 1H and 2H). Therefore, NBTs are important and powerful structural and analytical tools for SSLB research and have substantially improved our understanding of these processes. To provide real-time monitoring, researchers have explored many sophisticated in situ NBTs to investigate the underlying mechanisms of SSLBs. This minireview article is primarily dedicated to the investigation of SSLBs using in situ NBTs. In addition, it illustrates the capabilities of different in situ NBTs on SSLBs by illustrating the capabilities of different techniques in recently published works. Ultimately, some perspectives for the next evolution of in situ NBTs in SSLBs are highlighted.

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Section: Second-quasi-elastic Neutron Scattering (Qens)mentioning

confidence: 99%

Applications of In Situ Neutron-Based Techniques in Solid-State Lithium Batteries

Abitonze

Diko

et al. 2022

Batteries

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“…This is called the volume-relax method. Due to its higher Li concentration, its existence in both crystal and glass phases and the presence of a long 1-D chain of PO4 arrangement, LiPO3 has attracted a great research attention for Li diffusion study [2], [95]. The standard experimental structure [96] for LiPO3 was used in this study to evaluate the Li The PO4 tetrahedral makes a tunnel where Li is surrounded with the oxygens attracted by the electrostatic force.…”

Section: Diffusion In Crystal Structurementioning

confidence: 99%

“…It also showed the Li conductivity increases along with the increasing fraction of Li2SO4 and decreases after a certain limit. Ref[95] predicts the increase in the Li content ratio(1:4 to 1:3.25). It was argued that presence of ultramicroscopic cluster-tissue texture is the sole reason for this phenomenon.…”

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confidence: 99%

DFT Study on the Li Mobility in Li-Ion-Based Solid-State Electrolytes

et al. 2017

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We have investigated the diffusion mechanisms of Li-ion in amorphous lithium phosphite (LiPO3) with the addition of sulphur. By applying the nudge elastic band (NEB)1 method in crystal LiPO3 and Li3PO4, we have confirmed the ease in diffusion pathways for Li ions in LiPO3 which is quite consistent with the previous theoretical finding. From our diffusion study in 0.5 Li2O- 0.5 P2O5 and 0.4 Li2SO4 –0.6 (Li2O-P2O5) melts above 3000K investigated with ab-initio molecular dynamics (AIMD) has been confirmed by experiments at lower temperatures, we have demonstrated the benefit of S addition in increasing the Li+ mobility. We have also found that the Li2SO4 addition into the glass result in a characteristic shift in Li-ion vibration to a lower vibrational frequency. In addition, the presence of oxygen surrounding the diffusion pathways appears to be essential in assisting the Li+ mobility in both crystalline and amorphous structures.

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“…Another major field of research where such instrumentation is required concerns hydrogen -or lithium -based functionalities in solids. Since many batteries rely on ion exchange and/or the ionic conductivity of lithium and hydrogen, determination of diffusion mechanisms in these materials is essential in understanding and improving this performance [22,44,46,37,61]. Similarly, the diffusion in ionic liquids and solvent -based electrolytes has been attracting great interest [51,4,1,62].…”

Section: Introductionmentioning

confidence: 99%

Extending MIEZE spectroscopy towards thermal wavelengths

Jochum¹,

Keller²,

Pfleiderer³

2022

Preprint

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We propose a Modulation of intensity with zero effort (MIEZE) setup for high -resolution neutron spectroscopy at momentum transfers up to 3 Å−1 ,energy transfers up to 20 meV, and an energy resolution in the µeVrange using both thermal and cold neutrons. MIEZE has two prominent advantages compared to classical neutron spin -echo. The first one is the possibility to investigate spin -depolarizing samples or samples in strong magnetic fields without loss of signal amplitude and intensity. This allows for the study of spin fluctuations in ferromagnets, and facilitates the study of samples with strong spin -incoherent scattering. The second advantage is that multi -analyzer setups can be implemented with comparatively small effort. The use of thermal neutrons increases the range of validity of the spin -echo approximation towards shorter spin -echo times. In turn, the thermal MIEZE option for greater ranges (TIGER) closes the gap between classical neutron spin -echo spectroscopy and conventional highresolution neutron spectroscopy techniques such as triple -axis, time -offlight, and back -scattering. To illustrate the feasibility of TIGER we present the details of an implementation at the beamline RESEDA at FRM II by means of an additional velocity selector, polarizer and analyzer.

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Neutron Scattering Studies of Lithium-Ion Diffusion in Ternary Phosphate Glasses

Cited by 8 publications

References 14 publications

Applications of In Situ Neutron-Based Techniques in Solid-State Lithium Batteries

Applications of In Situ Neutron-Based Techniques in Solid-State Lithium Batteries

DFT Study on the Li Mobility in Li-Ion-Based Solid-State Electrolytes

Extending MIEZE spectroscopy towards thermal wavelengths

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