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| Home > Publications database > Correlating Structural Disorder to $Li^+$ Ion Transport in $Li_{4–x}Ge_{1–x}Sb_xS_4$ (0 ≤ x ≤ 0.2) > print |
| Home > Publications database > Correlating Structural Disorder to $Li^+$ Ion Transport in $Li_{4–x}Ge_{1–x}Sb_xS_4$ (0 ≤ x ≤ 0.2) > print |
| 001 | 908088 | ||
| 005 | 20240712113059.0 | ||
| 024 | 7 | _ | |a 10.1021/acs.chemmater.2c00608 |2 doi |
| 024 | 7 | _ | |a 0897-4756 |2 ISSN |
| 024 | 7 | _ | |a 1520-5002 |2 ISSN |
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| 037 | _ | _ | |a FZJ-2022-02367 |
| 082 | _ | _ | |a 540 |
| 100 | 1 | _ | |a Helm, Bianca |0 P:(DE-HGF)0 |b 0 |
| 245 | _ | _ | |a Correlating Structural Disorder to $Li^+$ Ion Transport in $Li_{4–x}Ge_{1–x}Sb_xS_4$ (0 ≤ x ≤ 0.2) |
| 260 | _ | _ | |a Washington, DC |c 2022 |b American Chemical Society |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 520 | _ | _ | |a Strong compositional influences are known to affect the ionic transport within the thio-LISICON family, however, a deeper understanding of the resulting structure - transport correlations have up until now been lacking. Employing a combination of high-resolution neutron diffraction, impedance spectroscopy and nuclear magnetic resonance spectroscopy, together with bond valence site energy calculations and the maximum entropy method for determining the underlying Li+ scattering density distribution of a crystal structure, this work assesses the impact of the Li+ substructure and charge carrier density on the ionic transport within the Li4-xGe1-xSbxS4 substitution series. By incorporating Sb5+ into Li4GeS4, an anisometric expansion of the unit cell is observed. An additional Li+ position is found as soon as (SbS4)3− polyhedra are present, leading to a better local polyhedral connectivity and a higher disorder in the Li+ substructure. Here, we are able to relate structural disorder to an increase in configurational entropy, together with a two order-of-magnitude increase in ionic conductivity. This result reinforces the typically believed paradigm that structural disorder leads to improvements in ionic transport. |
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| 700 | 1 | _ | |a Minafra, Nicolò |0 P:(DE-HGF)0 |b 1 |
| 700 | 1 | _ | |a Wankmiller, Björn |0 P:(DE-HGF)0 |b 2 |
| 700 | 1 | _ | |a Agne, Matthias T. |0 P:(DE-Juel1)185922 |b 3 |u fzj |
| 700 | 1 | _ | |a Li, Cheng |0 P:(DE-Juel1)172659 |b 4 |
| 700 | 1 | _ | |a Senyshyn, Anatoliy |0 P:(DE-HGF)0 |b 5 |
| 700 | 1 | _ | |a Hansen, Michael Ryan |0 0000-0001-7114-8051 |b 6 |
| 700 | 1 | _ | |a Zeier, Wolfgang G. |0 P:(DE-Juel1)184735 |b 7 |e Corresponding author |
| 773 | _ | _ | |a 10.1021/acs.chemmater.2c00608 |g p. acs.chemmater.2c00608 |0 PERI:(DE-600)1500399-1 |n 12 |p 5558–5570 |t Chemistry of materials |v 34 |y 2022 |x 0897-4756 |
| 856 | 4 | _ | |u https://juser.fz-juelich.de/record/908088/files/acs.chemmater.2c00608.pdf |y Restricted |
| 856 | 4 | _ | |y Published on 2022-06-09. Available in OpenAccess from 2023-06-09. |u https://juser.fz-juelich.de/record/908088/files/Helm_LiGeSbS_revised_manuscript%20PDF.pdf |
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