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Ch Wickel - One of the best experts on this subject based on the ideXlab platform.

  • ionic conductivities of spinel type quaternary Lithium Chlorides phase diagrams of liclmiclmiicl2 micu na miimn cd mg
    Solid State Ionics, 1991
    Co-Authors: H D Lutz, Arno Pfitzner, Ch Wickel
    Abstract:

    Abstract The phase relationships of the systems Li2MIICl4M2IMIICl4 (MICu, Na; MIIMg, Mn, Cd) were studied by thermal analyses (DTA), X-ray and Raman methods. The electric conductivities of the Li2−2xM2xIMIICl4 solid solutions obtained were determined by impedance spectroscopy. In the ternary Li2MIICl4 as much as 100 mol% of Lithium can be replaced by copper (I) (at 650 K, MIICd) and 80 mol% by sodium (at 720 K). At ambient temperature, the mutual solubilities are considerably smaller, i.e., negligible for MINa and only up to 40 mol% for MICu. In case of the copper containing compounds, the transitions of the spinel-type solid solutions present at ambient temperature to deficient NaCl superstructures at elevated temperatures can be studied by both X-ray and Raman methods. The ionic conductivities of the solid solutions decrease (i) slightly with increase in sodium content, but (ii) strongly with increasing copper content at least for x

H D Lutz - One of the best experts on this subject based on the ideXlab platform.

  • true space group of spinel type chromium oxides and sulfides and ternary Lithium Chlorides band structure calculations
    Zeitschrift Fur Kristallographie, 2000
    Co-Authors: H D Lutz, M Partik, M Sasmannshausen
    Abstract:

    The results of band structure (extended Huckel procedure) and cohesive energy calculations of spinel-type chromium oxides and sulfides, and of Lithium vanadium chloride were presented. They confirm that the D 3d to C 3v symmetry reduction of the octahedrally coordinated metal ions (Cr, V) of the respective oxides and of Li 2 VCl 4 (space group F43m instead of Fd3m) is caused by relatively strong metal-metal bonds with crystal orbital overlap populations (COOP) up to 10% of those of the metal-oxygen bonds despite M-M distances ∼300 pm. In the case of spinel-type chromium sulfides, the Cr-Cr interactions are antibonding in nature and, hence, no symmetry reduction occurs.

  • ionic conductivities of spinel type quaternary Lithium Chlorides phase diagrams of liclmiclmiicl2 micu na miimn cd mg
    Solid State Ionics, 1991
    Co-Authors: H D Lutz, Arno Pfitzner, Ch Wickel
    Abstract:

    Abstract The phase relationships of the systems Li2MIICl4M2IMIICl4 (MICu, Na; MIIMg, Mn, Cd) were studied by thermal analyses (DTA), X-ray and Raman methods. The electric conductivities of the Li2−2xM2xIMIICl4 solid solutions obtained were determined by impedance spectroscopy. In the ternary Li2MIICl4 as much as 100 mol% of Lithium can be replaced by copper (I) (at 650 K, MIICd) and 80 mol% by sodium (at 720 K). At ambient temperature, the mutual solubilities are considerably smaller, i.e., negligible for MINa and only up to 40 mol% for MICu. In case of the copper containing compounds, the transitions of the spinel-type solid solutions present at ambient temperature to deficient NaCl superstructures at elevated temperatures can be studied by both X-ray and Raman methods. The ionic conductivities of the solid solutions decrease (i) slightly with increase in sodium content, but (ii) strongly with increasing copper content at least for x

Chandra Veer Singh - One of the best experts on this subject based on the ideXlab platform.

  • materials perspective on new Lithium Chlorides and bromides insights into thermo physical properties
    Physical Chemistry Chemical Physics, 2020
    Co-Authors: Ming Jiang, Sankha Mukherjee, Zhi Wen Chen, Li Xin Chen, H Y Xiao, Chan Gao, Chandra Veer Singh
    Abstract:

    Recently, a new class of Lithium Chlorides and bromides (e.g., Li3YCl6 and Li3YBr6) were reported to be promising solid-state electrolytes with high ionic conductivity in all-solid-state battery cells. However, their response under mechanical loading is not known which is critical as mechanical properties can play a pivotal role in reducing interfacing resistance between electrolytes and electrodes. To address this issue, herein, we report the thermo-physical properties of these Lithium Chlorides and bromides using density functional theory calculations. It was found that the new structures possess relatively larger shear moduli than those of thio-phosphate-type solid-state electrolytes and smaller Young’s moduli than those of Garnet-type solid-state electrolytes. This suggests that the new halide materials can be more effective in suppressing the formation of Lithium dendrites, accommodating volumetric changes of electrode materials and preventing its own degradation. Meanwhile, the Poisson’s ratio and Pugh’s indicator calculations showed that Li3YCl6 and Li3ScCl6 possess improved ductility than other halide candidates, and thus hold promise as solid-state electrolytes. On the other hand, owing to their relatively high thermal conductivities, Lithium bromides were found to be more advantageous in conducting heat which is important to ensure safety. These results provide fundamental insights into the mechanical properties of Lithium Chlorides and bromides and contribute towards a rational mechanical design of solid-state electrolytes and the development advanced the all-solid-state batteries.

Ming Jiang - One of the best experts on this subject based on the ideXlab platform.

  • materials perspective on new Lithium Chlorides and bromides insights into thermo physical properties
    Physical Chemistry Chemical Physics, 2020
    Co-Authors: Ming Jiang, Sankha Mukherjee, Zhi Wen Chen, Li Xin Chen, H Y Xiao, Chan Gao, Chandra Veer Singh
    Abstract:

    Recently, a new class of Lithium Chlorides and bromides (e.g., Li3YCl6 and Li3YBr6) were reported to be promising solid-state electrolytes with high ionic conductivity in all-solid-state battery cells. However, their response under mechanical loading is not known which is critical as mechanical properties can play a pivotal role in reducing interfacing resistance between electrolytes and electrodes. To address this issue, herein, we report the thermo-physical properties of these Lithium Chlorides and bromides using density functional theory calculations. It was found that the new structures possess relatively larger shear moduli than those of thio-phosphate-type solid-state electrolytes and smaller Young’s moduli than those of Garnet-type solid-state electrolytes. This suggests that the new halide materials can be more effective in suppressing the formation of Lithium dendrites, accommodating volumetric changes of electrode materials and preventing its own degradation. Meanwhile, the Poisson’s ratio and Pugh’s indicator calculations showed that Li3YCl6 and Li3ScCl6 possess improved ductility than other halide candidates, and thus hold promise as solid-state electrolytes. On the other hand, owing to their relatively high thermal conductivities, Lithium bromides were found to be more advantageous in conducting heat which is important to ensure safety. These results provide fundamental insights into the mechanical properties of Lithium Chlorides and bromides and contribute towards a rational mechanical design of solid-state electrolytes and the development advanced the all-solid-state batteries.

Arno Pfitzner - One of the best experts on this subject based on the ideXlab platform.

  • ionic conductivities of spinel type quaternary Lithium Chlorides phase diagrams of liclmiclmiicl2 micu na miimn cd mg
    Solid State Ionics, 1991
    Co-Authors: H D Lutz, Arno Pfitzner, Ch Wickel
    Abstract:

    Abstract The phase relationships of the systems Li2MIICl4M2IMIICl4 (MICu, Na; MIIMg, Mn, Cd) were studied by thermal analyses (DTA), X-ray and Raman methods. The electric conductivities of the Li2−2xM2xIMIICl4 solid solutions obtained were determined by impedance spectroscopy. In the ternary Li2MIICl4 as much as 100 mol% of Lithium can be replaced by copper (I) (at 650 K, MIICd) and 80 mol% by sodium (at 720 K). At ambient temperature, the mutual solubilities are considerably smaller, i.e., negligible for MINa and only up to 40 mol% for MICu. In case of the copper containing compounds, the transitions of the spinel-type solid solutions present at ambient temperature to deficient NaCl superstructures at elevated temperatures can be studied by both X-ray and Raman methods. The ionic conductivities of the solid solutions decrease (i) slightly with increase in sodium content, but (ii) strongly with increasing copper content at least for x