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| Home > Publications database > Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li<sub>3– x</sub>In<sub>1– x</sub>Zr<sub>x</sub>Cl<sub>6</sub> (0 ≤ x ≤ 0.5) > print |
| Home > Publications database > Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li<sub>3– x</sub>In<sub>1– x</sub>Zr<sub>x</sub>Cl<sub>6</sub> (0 ≤ x ≤ 0.5) > print |
| 001 | 903325 | ||
| 005 | 20240712113049.0 | ||
| 024 | 7 | _ | |a 10.1021/acs.chemmater.1c01348 |2 doi |
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| 100 | 1 | _ | |a Helm, Bianca |0 P:(DE-HGF)0 |b 0 |
| 245 | _ | _ | |a Exploring Aliovalent Substitutions in the Lithium Halide Superionic Conductor Li3– xIn1– xZrxCl6 (0 ≤ x ≤ 0.5) |
| 260 | _ | _ | |a Washington, DC |c 2021 |b American Chemical Society |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 520 | _ | _ | |a In recent years, ternary halides Li3MX6 (M = Y, Er, In; X = Cl, Br, I) have garnered attention assolid electrolytes due to their wide electrochemical stability window and favorable roomtemperatureconductivities. In this material class, the influences of iso- or aliovalentsubstitutions are so far rarely studied in-depth, despite this being a common tool for correlatingstructure and transport properties. In this work, we investigate the impact of Zr substitution onthe structure and ionic conductivity of Li3InCl6 (Li3-xIn1-xZrxCl6 with 0 ≤ x ≤ 0.5) using acombination of neutron diffraction, nuclear magnetic resonance and impedance spectroscopy.Analysis of high-resolution diffraction data shows the presence of an additional tetrahedrallycoordinated lithium position together with cation site-disorder, both of which have not beenreported previously for Li3InCl6. This Li+ position and cation disorder lead to the formation ofa three-dimensional lithium ion diffusion channel, instead of the expected two-dimensionaldiffusion. Upon Zr4+ substitution, the structure exhibits non-uniform volume changes alongwith an increasing number of vacancies, all of which lead to an increasing ionic conductivity inthis series of solid solutions |
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| 700 | 1 | _ | |a Zeier, Wolfgang |0 P:(DE-Juel1)184735 |b 8 |e Corresponding author |
| 773 | _ | _ | |a 10.1021/acs.chemmater.1c01348 |g Vol. 33, no. 12, p. 4773 - 4782 |0 PERI:(DE-600)1500399-1 |n 12 |p 4773 - 4782 |t Chemistry of materials |v 33 |y 2021 |x 0897-4756 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/903325/files/acs.chemmater.1c01348.pdf |y Restricted |
| 856 | 4 | _ | |y Published on 2021-06-08. Available in OpenAccess from 2022-06-08. |u https://juser.fz-juelich.de/record/903325/files/Helm1.pdf |
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