Crystal Structure of a Lithium Ion-Conducting Perovskite La2/3−xLi3xTiO3 (x=0.05)

Inaguma, Yoshiyuki; Katsumata, Tetsuhiro; Itoh, Makoto; Morii, Yukio

doi:10.1006/jssc.2002.9560

Cited by 129 publications

(123 citation statements)

References 21 publications

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“…Model (i) corresponds to La occupancies of 1.0 and 0.25 in the first and second layer, respectively, and the corresponding values for model (ii) are 0.75 and 0.5. The Rietveld-refined occupancies of the two independent La sites in the z=0 and z=0.5 layers of the Cmmm structure are 0.939 and 0.301 for Li 0.16 La 0.613 TiO 3 [7], and 0.962 and 0.258 for Li 0.18 La 0.607 TiO 3 [8], fully confirming that both experimental structures are much closer to model (i) than (ii).…”

Section: Least-energy Optimizationssupporting

confidence: 61%

“…La/Li ordering is achieved within the two independent (001) layers of A-type hollows, containing 4La (below) and 1La+1Li+2 (above) in case (i), and 3La+1 (below) and 2La+1Li+1 (above) in case (ii). [7] and Li 0.18 La 0.607 TiO 3 [8], orthorhombic Cmmm (table 1). However, it turns out that the mirror plane normal to the monoclinic y axis of the optimized models corresponds to the m plane of the experimental Cmmm structure which is perpendicular to the x axis.…”

Section: Least-energy Optimizationsmentioning

confidence: 99%

“…The lithium content (x value) and the cooling rate in the sample synthesis play a crucial role in this respect. For samples with low Li content (0.12 ≤ x ≤ 0.20), an orthorhombic Cmmm phase with cell of type 2a p ×2a p ×2a p was found, in case of synthesis by slow cooling from high temperature [7,8]. A particular interest is shown by the intermediate x=0.3 composition, because of its very good ionic conductivity performance.…”

Section: Introductionmentioning

confidence: 98%

“…Clearly, the extended disordered distribution of lithium atoms and vacancies is responsible for the high ionic mobility. However, although several structural studies of this system at a number of Li compositions have been performed, only in a few cases lithium could be located and/or refined by neutron diffraction [5][6][7][8][9][10][11]. This task is particularly difficult in case of small Li content (say, x < 0.25), where a problem of scattering sensitivity arises.…”

Section: Introductionmentioning

confidence: 99%

“…First, a partial ordering of the La-Li-substitution in the A cages is observed along the z axis; this makes the c cell edge to double from a p to 2a p , so that alternate (001) layers of La-rich and La-poor Atype sites arise. Second, the TiO 6 octahedra tilt in anti-phase sequence around at least one of the crystallographic axes, which is z for tetragonal structures [9,10] (a 0 a 0 c -scheme, according to Glazer's notation [12]), and usually y for orthorhombic structures [7,8,11] (a 0 b -c 0 scheme). An enlargement of the unit-cell in the (001) plane from a p ×a p to √2a p ×√2a p (tetragonal) or to 2a p ×2a p (orthorhombic) ensues.…”

Section: Introductionmentioning

confidence: 99%

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Local structure of the Li_1/8La_5/8TiO₃(LLTO) ionic conductor by theoretical simulations

Catti

2008

J. Phys.: Conf. Ser.

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Section: Least-energy Optimizationssupporting

confidence: 61%

Section: Least-energy Optimizationsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Local structure of the Li_1/8La_5/8TiO₃(LLTO) ionic conductor by theoretical simulations

Catti

2008

J. Phys.: Conf. Ser.

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Electrochemical and Structural Analysis in All‐Solid‐State Lithium Batteries by Analytical Electron Microscopy: Progress and Perspectives

et al. 2019

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Advanced scanning transmission electron microscopy (STEM) and its associated instruments have made significant contributions to the characterization of all‐solid‐state (ASS) Li batteries, as these tools provide localized information on the structure, morphology, chemistry, and electronic state of electrodes, electrolytes, and their interfaces at the nano‐ and atomic scale. Furthermore, the rapid development of in situ techniques has enabled a deep understanding of interfacial dynamic behavior and heterogeneous characteristics during the cycling process. However, due to the beam‐sensitive nature of light elements in the interphases, e.g., Li and O, thorough and reliable studies of the interfacial structure and chemistry at an ultrahigh spatial resolution without beam damage is still a formidable challenge. Herein, the following points are discussed: (1) the recent contributions of advanced STEM to the study of ASS Li batteries; (2) current challenges associated with using this method; and (3) potential opportunities for combining cryo‐electron microscopy and the STEM phase contrast imaging techniques.

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Interfacial Incompatibility and Internal Stresses in All‐Solid‐State Lithium Ion Batteries

Liu

et al. 2019

Advanced Energy Materials

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The continuous depletion of fossil fuels, the increase of oil prices, and the need to decrease CO 2 emissions have stimulated intensive research on developing alternative renewable and clean energy sources. [1] Among these alternative energy sources, rechargeable Li-ion batteries (LIBs) are one of the promising candidates. To date, the LIBs basically consisting of a positive electrode (cathode), an electrolyte, and a negative electrode (anode) have widespread applications, such as portable electronic devices, pure electric vehicles (PEVs), and hybrid electric vehicles (HEVs). [2] The state-of-the-art electrolytes are usually the lithium salts (LiPF 6 , LiBF 4 , and LiCF 3 SO 3 ) dissolved in organic solvents, i.e., ethylene carbonate, propylene carbonate, polyethylene oxide, and dimethyl carbonate, [3] which exhibit excellent wetting of the electrodes and produce a fast transfer of Li + ions upon charging and discharging. However, they suffer from flammability, poor electrochemical stability, limited temperature range of operation, and low power density. [4] There is an ever-increasing demand for batteries with a higher energy and power density, although current LIBs offer volumetric and gravimetric energy densities up to 770 Wh L −1 and 260 Wh kg −1 , respectively. [5] To improve the energy/power density of LIBs, one way is to adopt high-potential cathode materials such as LiNi 0.5 Mn 1.5 O 4 (LNMO). The high-voltage plateau of LNMO (≈4.7 V vs Li/Li + ) makes its energy density 20-30% higher than the energy density of commercial LiCoO 2 and LiFePO 4 . [6] However, successful commercialization of the LNMO is restricted in high-energy LIBs due to electrolyte decomposition and side reaction of the cathodes and liquid electrolytes when operating at high voltages. [7,8] The other way to improve the energy/power density is to replace the conventional graphite anode with Li metal. The Li metal, with a low anode potential (−3.04 V vs standard hydrogen electrode) and high specific capacity (3862 mAh g −1 for the Li anode versus 372 mAh g −1 for the graphite anode), [9][10][11] has been considered as the "Holy Grail" of battery technologies. When paired with sulfur and oxygen, the theoretical energy density of Li-S (≈2567 Wh kg −1 ) and Li-O 2 (≈3505 Wh kg −1 ) batteries is far higher than the theoretical energy density of conventional LIBs (≈387 Wh kg −1 ). [12][13][14][15] When Li metal approaches the liquid electrolytes, however, unstable Li/electrolyte interface Rechargeable Li-ion batteries (LIBs) are electrochemical storage device widely applied in electric vehicles, mobile electronic devices, etc. However, traditional LIBs containing liquid electrolytes suffer from flammability, poor electrochemical stability, and limited operational temperature range. Replacement of the liquid electrolytes with inorganic solid-state electrolytes (SSEs) would solve this problem. However, several critical issues, such as poor interfacial compatibility, low ionic conductivity at ambient temperatures, etc., need to be surmounted befor...

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Crystal Structure of a Lithium Ion-Conducting Perovskite La2/3−xLi3xTiO3 (x=0.05)

Cited by 129 publications

References 21 publications

Local structure of the Li_1/8La_5/8TiO₃(LLTO) ionic conductor by theoretical simulations

Local structure of the Li_1/8La_5/8TiO₃(LLTO) ionic conductor by theoretical simulations

Electrochemical and Structural Analysis in All‐Solid‐State Lithium Batteries by Analytical Electron Microscopy: Progress and Perspectives

Interfacial Incompatibility and Internal Stresses in All‐Solid‐State Lithium Ion Batteries

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Crystal Structure of a Lithium Ion-Conducting Perovskite La2/3−xLi3xTiO3 (x=0.05)

Cited by 129 publications

References 21 publications

Local structure of the Li1/8La5/8TiO3(LLTO) ionic conductor by theoretical simulations

Local structure of the Li1/8La5/8TiO3(LLTO) ionic conductor by theoretical simulations

Electrochemical and Structural Analysis in All‐Solid‐State Lithium Batteries by Analytical Electron Microscopy: Progress and Perspectives

Interfacial Incompatibility and Internal Stresses in All‐Solid‐State Lithium Ion Batteries

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Local structure of the Li_1/8La_5/8TiO₃(LLTO) ionic conductor by theoretical simulations

Local structure of the Li_1/8La_5/8TiO₃(LLTO) ionic conductor by theoretical simulations