ChemInform Abstract: Lithium Ion Conductivity of A‐Site Deficient Perovskite Solid Solution La0.67‐xLi3xTiO3.

Kawai, Hideki; Kuwano, Jun

doi:10.1002/chin.199446023

Cited by 7 publications

(11 citation statements)

References 1 publication

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“…Kawai et al . suggested that the mobility of lithium ions remained constant at ambient temperature due to the observation that the conduction energy barriers remain constant of around 0.35 eV in the range in wide composition ranges . The ionic conductivity was thus dominated by charge carrier concentrations, which involved both the lithium ion and vacancy concentrations.…”

Section: Discussionmentioning

confidence: 99%

“…The available lithium ion concentration in La 2/3– x Li 3 x TiO 3 can be expressed as N Li : 3 x /V s , in which V s is the unit cell volume, and lithium ion vacancy concentration expressed a (0.33–2 x )/V s . Assuming the total A‐site concentration N=N v +N Li to be identical in terms of symmetry and energies, the total charge carrier concentration can be expressed as

n_{normalLi} = \frac{N_{normalLi} N_{normalV}}{N} = \frac{(x - 6 x^{2})}{false(0.33 + x false) V_{normalS}}

…”

Section: Discussionmentioning

confidence: 99%

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Lithium Ion Diffusion Mechanism in Lithium Lanthanum Titanate Solid‐State Electrolytes from Atomistic Simulations

Chen

2014

J. Am. Ceram. Soc.

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Perovskite‐structured lithium lanthanum titanate (LLT, La2/3–xLi3xTiO3, 0 < x < 0.16) is a promising solid electrolyte with high lithium ion conductivity and a good model system to understand lithium ion diffusion behaviors in solids. Molecular dynamics (MD) and related atomistic computer simulations were used to study the diffusion behavior and diffusion mechanism as a function of composition in LLT solid‐state electrolytes. The effect of defect concentration on the structure and lithium ion diffusion behaviors in LLT was systematically studied using MD simulations and molecular static calculations with the goal to obtain fundamental understanding of the diffusion mechanism of lithium ions in these materials. The simulation results show that there exists an optimal vacancy concentration at around x = 0.067 at which lithium ions have the highest diffusion coefficient and the lowest diffusion energy barrier. The lowest energy barrier from dynamics simulations was found to be around 0.22 eV, which compared favorably with 0.19 eV from static nudged elastic band calculations. It was also found that lithium ions diffuse through bottleneck structures made of oxygen ions, which expand in dimension by 8%–10% when lithium ions pass through. By designing perovskite structures with larger bottleneck sizes can be a means of further improving lithium ion conductivities in these materials.

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Section: Discussionmentioning

confidence: 99%

n_{normalLi} = \frac{N_{normalLi} N_{normalV}}{N} = \frac{(x - 6 x^{2})}{false(0.33 + x false) V_{normalS}}

…”

Section: Discussionmentioning

confidence: 99%

Lithium Ion Diffusion Mechanism in Lithium Lanthanum Titanate Solid‐State Electrolytes from Atomistic Simulations

Chen

2014

J. Am. Ceram. Soc.

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“…A dome‐shaped dependence of the conductivity on the Li content was observed with the highest value appearing at x = 0.1–0.12 (Fig. ) . The degree of ordering of the cations and vacancies on the A‐sites also strongly influences the bulk ionic conductivity of LLTO.…”

Section: Perovskite‐type Electrolytesmentioning

confidence: 93%

“…The general composition formula of LLTO solid solution is Li 3 x La 2/3− x □ 1/3−2 x TiO 3 (0 < x < 0.167) . Depending on the amount of lattice vacancies (□) and the synthesis method, four phases in LLTO, i.e., cubic, tetragonal, orthorhombic, and hexagonal, have been reported.…”

Section: Perovskite‐type Electrolytesmentioning

confidence: 99%

Oxide Electrolytes for Lithium Batteries

et al. 2015

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As the most promising candidate of the solid electrolyte materials for future lithium batteries, oxide electrolytes with highlithium-ion conductivity have experienced a rapid development in the past few decades. Existing oxide electrolytes are divided into two groups, i.e., crystalline group including NASICON, perovskite, garnet, and some newly developing structures, and amorphous/glass group including Li 2 O-MO x (M = Si, B, P, etc.) and LiPON-related materials. After a historical perspective on the general development of oxide electrolytes, we try to give a comprehensive review on the oxide electrolytes with high-lithium-ion conductivity, with special emphasis on the aspect of materials selection and design for applications as solid electrolytes in lithium batteries. Some successful examples and meaningful attempts on the incorporation of oxide electrolytes in lithium batteries are also presented. In the conclusion part, an outlook for the future direction of oxide electrolytes development is given.

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“…Li 3 x La 2/3‐ x V A 1/3‐2 x TiO 3 materials were found to exhibit a tetragonal, cubic, or orthogonal structure depending on the composition and the preparation conditions . The presence of vacancies at the A‐site is favorable for fast Li ions diffusion …”

Section: Introductionmentioning

confidence: 99%

Electrochemical and mechanical stability of Li_xLa_0.557TiO_3‐δ perovskite electrolyte at various voltages

Yan

Cheng

et al. 2018

J Am Ceram Soc

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Perovskite LixLa0.557TiO3 electrolytes in all‐solid‐state lithium batteries are operated under a voltage gradient, which potentially induces the electrochemical and mechanical instability. To simulate the properties of LixLa0.557TiO3 (LLTO) under application relevant conditions, samples are charged (or discharged) to 0.2 V, 3.2 V, 4.0 V, and 4.5 V, respectively. The Li ion conductivity is 9.55 × 10−5 S/cm at 3.2 V and decreases obviously to 2.54 × 10−5 S/cm as the voltage increases to 4.5 V, whereas the value of the LLTO‐0.2 V is between that of LLTO‐3.2 V and LLTO‐4.0 V. In terms of mechanical behavior, elastic modulus (E), hardness (H), and fracture toughness (KIC) of LLTO operated at different voltages are also tested using depth‐sensitive indentation. The results can be used in the designing, monitoring and also improving of the battery cells.

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ChemInform Abstract: Lithium Ion Conductivity of A‐Site Deficient Perovskite Solid Solution La0.67‐xLi3xTiO3.

Cited by 7 publications

References 1 publication

Lithium Ion Diffusion Mechanism in Lithium Lanthanum Titanate Solid‐State Electrolytes from Atomistic Simulations

Lithium Ion Diffusion Mechanism in Lithium Lanthanum Titanate Solid‐State Electrolytes from Atomistic Simulations

Oxide Electrolytes for Lithium Batteries

Electrochemical and mechanical stability of Li_xLa_0.557TiO_3‐δ perovskite electrolyte at various voltages

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ChemInform Abstract: Lithium Ion Conductivity of A‐Site Deficient Perovskite Solid Solution La0.67‐xLi3xTiO3.

Cited by 7 publications

References 1 publication

Lithium Ion Diffusion Mechanism in Lithium Lanthanum Titanate Solid‐State Electrolytes from Atomistic Simulations

Lithium Ion Diffusion Mechanism in Lithium Lanthanum Titanate Solid‐State Electrolytes from Atomistic Simulations

Oxide Electrolytes for Lithium Batteries

Electrochemical and mechanical stability of LixLa0.557TiO3‐δ perovskite electrolyte at various voltages

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Electrochemical and mechanical stability of Li_xLa_0.557TiO_3‐δ perovskite electrolyte at various voltages