Sealed-tube synthesis and phase diagram of LixTiS2 (0≤x≤1)

Zhang, Ziping; Dong, C.; Guan, Chunlong; Lin-yuan, Yang; Luo, Xudong; Li, Ao-Lei

doi:10.1016/j.materresbull.2014.10.045

Cited by 5 publications

(6 citation statements)

References 17 publications

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“…This finding is in accordance with the phase diagram published by Zhang et al [10]: Although data points for = 0.7 and 0.9 are not included in it, transformation temperatures of ca. 840 and 800 K, respectively, may be interpolated.…”

Section: Phase Transformationsupporting

confidence: 92%

“…The lattice parameter , however, decreases with rising lithium content. This has been explained with the differences in stacking along (see Figure 1) using a hand-waving argument [10]:…”

Section: Evolution Of Lattice Parametersmentioning

confidence: 99%

“…91.67(6) 91.20 (11) 91.10 (8) 90.05 (8) 90.02 (9) 91.14 (4) 91.09 (8) 91.33 (7) 90.13 (8) (10) 83.31 (8) 83.45 (7) 83.45 (8) 83.89 (4) 83.77 (7) 83.95 (6) 84.49 (7) 84.25 (9) cis (6 ×) 95.83(5) 96.41 (10) 96.69 (8) 96.55 (7) 96.55 (8) 96.11 (4) 96.23 (7) 96.05 (6) 95.51 (7) 95.75 ( centre reflects the contraction of lattice parameters (see Table 4). We attribute this behaviour, that is only found for the lower lithium content and at high temperatures, to an inset of diffusion processes smoothing the lithium (charge) distribution -if enough vacancies in the lithium layer are available.…”

Section: ×)mentioning

confidence: 99%

“…However, as X-ray diffractometry was employed, experimental verification of the assumed lithium-ion positions is still lacking [9]. Very recently, a comprehensive study comprising a phase diagram ( vs. ) for the system 1T-/3R-Li x TiS 2 has been published [10].…”

Section: Introductionmentioning

confidence: 99%

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The High-Temperature Transformation from 1T- to 3R-Li_xTiS₂ (x = 0.7, 0.9) as Observed in situ with Neutron Powder Diffraction

Wiedemann

Nakhal

Senyshyn

et al. 2015

Zeitschrift Für Physikalische Chemie

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Layered titanium disulfide is used as lithium-ion intercalating electrode material in batteries. The room-temperature stable trigonal 1T polymorphs of the intercalates Li x TiS 2 ( ≤ 1) are widely-investigated. However, the rombohedral 3R polymorphs, being stable at higher temperatures for large , are less well known.In this study, we report on the synthesis of phase-pure 1T-Li x TiS 2 ( = 0.7, 0.9) and its transformation to the 3R phase between 673 and 873 K as monitored using high-temperature neutron powder diffractometry. For the 3R polymorph, full Rietveld refinements show lithium ions to be statistically distributed over octahedral voids at the fractional coordinates 0, 0, 1 / 2 , exclusively. The comparison of Madelung energies with results of periodic quantum-chemical calculations reveals that the evolution of lattice parameters and the room-temperature stability of the 1T phase are not governed by electrostatics, but by correlation and polarization. The insights gained do not only elucidate the structure of 3R-Li x TiS 2 , but also help to understand and control polymorphism in layered transition-metal sulfides.

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Section: Phase Transformationsupporting

confidence: 92%

“…The lattice parameter , however, decreases with rising lithium content. This has been explained with the differences in stacking along (see Figure 1) using a hand-waving argument [10]:…”

Section: Evolution Of Lattice Parametersmentioning

confidence: 99%

Section: ×)mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

The High-Temperature Transformation from 1T- to 3R-Li_xTiS₂ (x = 0.7, 0.9) as Observed in situ with Neutron Powder Diffraction

Wiedemann

Nakhal

Senyshyn

et al. 2015

Zeitschrift Für Physikalische Chemie

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“…However, the selection of a suitable material for a SE-free electrode must fulfill various requirements: both ionic and electronic conductivities must be sufficient, and the selected electrode material has to be chemically stable regarding the SE and must be sufficiently ductile to allow good interparticle diffusion by cold-pressing. We identified the O3-Li x TiS 2 − phase as an attractive candidate that met the above specifications. Besides the O3-Li x TiS 2 phase showing a structure and chemistry similar to those of the O1-TiS 2 phase, it is expected to be a fast ionic conductor and an acceptable semimetallic electronic conductor .…”

Section: Introductionmentioning

confidence: 99%

Solid-Electrolyte-Free O3-Li_xTiS₂ Cathode for High-Energy-Density All-Solid-State Lithium-Metal Batteries

Hennequart

Deschamps

Chometon

et al. 2023

ACS Appl. Energy Mater.

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Composites made of high-capacity and highpotential LiNi x Mn y Co 1−x−y O 2 (NMC) lamellar transition-metal oxides and S-based ionic conductors are primarily used as positive electrodes in all-solid-state batteries (ASSBs). However, NMC coatings are necessary to prevent the chemical reactivity of oxygen and sulfur at the expense of some penalty in capacity and in ionic conduction. To overcome these problems, the current trend is to move to S-based positive electrodes, which exhibit higher electronic and ionic conductivities and no S−O reactivity. Herein we succeed in preparing highly divided O3-Li x TiS 2 powders by ball milling, which can be used as a positive electrode free of the electrochemically dead solid electrolyte (SE) in ASSBs that shows energy densities of more than 350 Wh/kg and stable cycling under low pressures down to 1 bar. These enhanced performances were rationalized by 7 Li NMR measurements that revealed a decrease in the site-to-site activation energy barrier with increasing ballmilling time. This finding, based on diffusion considerations associated with particle size reduction, can be generalized to other 3D metal sulfides and provides insights on the benefits of using a SE-free and C-free design relying on highly divided Li-containing sulfides to boost energy densities in ASSBs. KEYWORDS: all-solid-state lithium batteries, lithiated titanium disulfide, O3-Li x TiS 2 , low pressure, SE-free cathode, chalcogenides

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Lithium intercalation into TiS2 cathode material: phase equilibria in a Li–TiS2 system

Suslov

Бушкова

Шерстобитова

et al. 2015

Ionics

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Sealed-tube synthesis and phase diagram of LixTiS2 (0≤x≤1)

Cited by 5 publications

References 17 publications

The High-Temperature Transformation from 1T- to 3R-Li_xTiS₂ (x = 0.7, 0.9) as Observed in situ with Neutron Powder Diffraction

The High-Temperature Transformation from 1T- to 3R-Li_xTiS₂ (x = 0.7, 0.9) as Observed in situ with Neutron Powder Diffraction

Solid-Electrolyte-Free O3-Li_xTiS₂ Cathode for High-Energy-Density All-Solid-State Lithium-Metal Batteries

Lithium intercalation into TiS2 cathode material: phase equilibria in a Li–TiS2 system

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Sealed-tube synthesis and phase diagram of LixTiS2 (0≤x≤1)

Cited by 5 publications

References 17 publications

The High-Temperature Transformation from 1T- to 3R-Li x TiS2 (x = 0.7, 0.9) as Observed in situ with Neutron Powder Diffraction

The High-Temperature Transformation from 1T- to 3R-Li x TiS2 (x = 0.7, 0.9) as Observed in situ with Neutron Powder Diffraction

Solid-Electrolyte-Free O3-LixTiS2 Cathode for High-Energy-Density All-Solid-State Lithium-Metal Batteries

Lithium intercalation into TiS2 cathode material: phase equilibria in a Li–TiS2 system

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The High-Temperature Transformation from 1T- to 3R-Li_xTiS₂ (x = 0.7, 0.9) as Observed in situ with Neutron Powder Diffraction

The High-Temperature Transformation from 1T- to 3R-Li_xTiS₂ (x = 0.7, 0.9) as Observed in situ with Neutron Powder Diffraction

Solid-Electrolyte-Free O3-Li_xTiS₂ Cathode for High-Energy-Density All-Solid-State Lithium-Metal Batteries