High pressure densification of lithium silicate glasses

Kitamura, Naoyuki; Fukumi, Kohei; Mizoguchi, H; Makihara, Masaki; Higuchi, Akiji; Ohno, Nobutada; Fukunaga, Toshiharu

doi:10.1016/s0022-3093(00)00190-3

Cited by 50 publications

(35 citation statements)

References 10 publications

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“…Sample A6 had a higher density than sample A1, although it was heat treated at a lower temperature (T TC of 422°C), than sample A1 (T TC of 555°C). However, the density of A6 is found to be comparable to that (2.58 g/cm 3 ) reported by Kitamura [46] for an identical glass densified under closely similar conditions (at 6 GPa and 400°C).…”

Section: Resultssupporting

confidence: 85%

In situ crystallization of lithium disilicate glass: Effect of pressure on crystal growth rate

Fuss

Ray

Lesher

et al. 2006

Journal of Non-Crystalline Solids

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Section: Resultssupporting

confidence: 85%

In situ crystallization of lithium disilicate glass: Effect of pressure on crystal growth rate

Fuss

Ray

Lesher

et al. 2006

Journal of Non-Crystalline Solids

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“…The distances of Si-O, O-O, and Si-Si are in good agreement with those of shocked SiO 2 glasses obtained from an X-ray diffraction, 44 and densified Li 2 O-2SiO 2 glasses at high pressures. 45,46 The first peak at a radius of 1.95 Å in the partial Li-O RDF shown in Fig. 4d corresponds to a shoulder in the calculated total RDF shown in Fig.…”

Section: Resultsmentioning

confidence: 94%

Fast Li-Ion Transport in Amorphous Li₂Si₂O₅: An Ab Initio Molecular Dynamics Simulation

Lei

Wang

Huang

2016

J. Electrochem. Soc.

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The present study reports an ab-initio molecular dynamics (AIMD) simulation of ionic diffusion in the amorphous Li 2 Si 2 O 5 in a temperature range of 573-823 K. The results show that the amorphous Li 2 Si 2 O 5 is primarily a Li + conductor with negligible O 2− and Si 4+ contributions. The obtained activation energy of 0.47 eV for Li + diffusion is higher than Na + in the analogue amorphous Na 2 Si 2 O 5 , but close to other types of Li + conductors. The predicted Li + conductivity is on the order of 10 −2 S·cm −1 at 623-823 K. Our simulations also reveal that Li + in the amorphous Li 2 Si 2 O 5 diffuses via a hopping mechanism between the nearest sites in the channels formed by two adjacent SiO 4 layers. © The Author Solid-state lithium-ion batteries (SSLIBs) are envisioned to be the next-generation high-power and high-capacity energy storage devices with far less safety and temperature stability issues experienced by the conventional liquid-based counterparts.1-18 As a key component of SSLIBs, the electrolyte should possess a high Li + conductivity (σ) at room temperature and low activation energy (E a ) for use over a broad range of operating temperatures. In the meanwhile, properties such as electrochemical stability over a wide working voltage window and chemical stability against electrodes (layered cathode and Li metal anode) should also be preferred. So far, a broad range of materials have been investigated as potential solid Li 6-8 and sulfide-based compounds with higher ionic conductivities such as the thio-LISICON group (Li 7 P 3 S 11 , σ = 3.2-17 × 10 −3 Scm −1 at 25 Therefore, the aim of the present study is to investigate the ionic transport property, in particularly Li + conductivity, in the amorphous Li 2 Si 2 O 5 that is a close analogue to the known Na + -conductoramorphous Na 2 Si 2 O 5 via a theoretical ab-initio molecular dynamics (AIMD) approach. We selected 573-823 K as the temperature range for the simulation because we have experimentally observed reasonably high conductivity from the amorphous Li 2 Si 2 O 5 in this temperature range. With the help of this AIMD simulation, we will be able to gain the insights into the nature of the observed conductivity. We believe that the outcome of this work is not only important to the understanding of ionic conduction mechanism in solid-state amorphous Li 2 Si 2 O 5 , but also to the identification of new solid-state electrolytes for future solid-state Li-ion batteries. 2 ) valence electrons with a plane wave cutoff energy of 500 eV. The atomic positions were optimized to the level of the maximum ionic force ≤0.02 eV Å −1 . A Verlet algorithm was integrated with Newton's equations of motion at a time step of 2 fs for a total simulation time of 50 ps, i.e., 25,000 steps performed on an NVT ensemble. The frequency of the temperature oscillations was controlled by the Nosé mass during the simulations. A supercell of 2 × 1 × 2 unit cell containing 144 atoms was chosen for a k-point sampling at the -point.Initial configurations.-The simulations started...

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“…The crystallization of lithium disilicate Li 2 O-2SiO 2 (LS 2 ) glasses has been previously studied under simultaneous high pressures and high temperatures [7,[14][15][16][17][18][19]. Fuss et al [14] showed that the crystal growth rate was smaller and the crystallization peak temperature increased when this glass was processed simultaneously under high pressure and high temperature.…”

Section: Introductionmentioning

confidence: 99%

Effect of high pressure in the Li2O–2SiO2 crystallization

Buchner

Soares

Pereira

et al. 2010

Journal of Non-Crystalline Solids

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The aim of this work was to investigate the effect of previous treatments at high pressures on the crystallization kinetics of monolithic samples of a Li 2 O-2SiO 2 (LS 2 ) glass. The glass transition temperature (T g ) and the temperature of the onset of crystallization (T p ) obtained by differential thermal analyses (DTA) were measured for LS 2 glass samples submitted to isostatic pressures ranging from 2.5 to 7.7 GPa during 5 min at room temperature. The observed systematic changes in T g and T p were probably related to the cracks induced by high pressure inside the monolithic samples and in its surface. Away from the cracks, the nucleation density slightly decreased as a function of pressure but along the cracks, the nucleation density was significantly higher.

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High pressure densification of lithium silicate glasses

Cited by 50 publications

References 10 publications

In situ crystallization of lithium disilicate glass: Effect of pressure on crystal growth rate

In situ crystallization of lithium disilicate glass: Effect of pressure on crystal growth rate

Fast Li-Ion Transport in Amorphous Li₂Si₂O₅: An Ab Initio Molecular Dynamics Simulation

Effect of high pressure in the Li2O–2SiO2 crystallization

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High pressure densification of lithium silicate glasses

Cited by 50 publications

References 10 publications

In situ crystallization of lithium disilicate glass: Effect of pressure on crystal growth rate

In situ crystallization of lithium disilicate glass: Effect of pressure on crystal growth rate

Fast Li-Ion Transport in Amorphous Li2Si2O5: An Ab Initio Molecular Dynamics Simulation

Effect of high pressure in the Li2O–2SiO2 crystallization

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Product

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Fast Li-Ion Transport in Amorphous Li₂Si₂O₅: An Ab Initio Molecular Dynamics Simulation