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| 001 | 1047538 | ||
| 005 | 20260122125259.0 | ||
| 024 | 7 | _ | |a 10.1039/D5TA07185B |2 doi |
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| 100 | 1 | _ | |a Böger, Thorben |0 P:(DE-HGF)0 |b 0 |
| 245 | _ | _ | |a Impact of structural coherence and disorder on the ionic transport and lattice dynamics in $Li^+$ -conducting argyrodites |
| 260 | _ | _ | |a London [u.a.] |c 2025 |b RSC |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 520 | _ | _ | |a Solid-state batteries offer improved safety and higher energy density compared to conventional lithium-ion systems. Among candidate solid electrolytes, lithium argyrodites stand out for their exceptional ionic conductivity and compositional flexibility. Recent studies have revealed strongly anharmonic, liquid-like ion and lattice dynamics in these materials, including the collapse of soft phonons driven by $Li^+ $diffusion, which impacts both local vibrations and thermal transport. Yet, the connection between the local structure, phonon dynamics, and macroscopic heat transport remains unresolved. In this work, we employ post-synthesis processing to tune microstructural parameters—such as crystallite size, strain, and coherence length—in two model systems: $Li_{5.5}PS_{4.5}Cl_{1.5}$ and $Li_6PS_5Br$. We systematically examine how mechanical treatments influence structural coherence, ion and lattice dynamics, and thermal transport. To further probe the role of structural disorder, we investigate bromide substitution in $Li_6PS_5I$. Across all compounds, thermal transport above 100 K is dominated by diffusons. At lower temperatures, however, structural disorder is significantly more effective than reduced coherence length at suppressing phonon-gas-type transport, underscoring the crucial role of the local structure. Together with a detailed analysis of lithium-ion dynamics, these results provide new insights into how structural coherence and disorder govern both transport and vibrational properties in fast ionic conductors. |
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| 700 | 1 | _ | |a Strotmann, Kyra |0 P:(DE-HGF)0 |b 1 |
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| 700 | 1 | _ | |a Maus, Oliver |0 P:(DE-HGF)0 |b 3 |
| 700 | 1 | _ | |a Abernathy, Douglas L. |0 P:(DE-HGF)0 |b 4 |
| 700 | 1 | _ | |a Granroth, Garrett E. |0 P:(DE-HGF)0 |b 5 |
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| 700 | 1 | _ | |a Li, Cheng |0 P:(DE-Juel1)172659 |b 7 |
| 700 | 1 | _ | |a Suard, Emmanuelle |0 P:(DE-HGF)0 |b 8 |
| 700 | 1 | _ | |a Zeier, Wolfgang |0 P:(DE-Juel1)184735 |b 9 |e Corresponding author |
| 773 | _ | _ | |a 10.1039/D5TA07185B |g p. 10.1039.D5TA07185B |0 PERI:(DE-600)2702232-8 |p 39211-39228 |t Journal of materials chemistry / A |v 13 |y 2025 |x 2050-7488 |
| 856 | 4 | _ | |y OpenAccess |u https://juser.fz-juelich.de/record/1047538/files/d5ta07185b.pdf |
| 856 | 4 | _ | |y OpenAccess |u https://juser.fz-juelich.de/record/1047538/files/revised_manuscript.pdf |
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