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001047538 1001_ $$0P:(DE-HGF)0$$aBöger, Thorben$$b0
001047538 245__ $$aImpact of structural coherence and disorder on the ionic transport and lattice dynamics in $Li^+$ -conducting argyrodites
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001047538 520__ $$aSolid-state batteries offer improved safety and higher energy density compared to conventional lithium-ion systems. Among candidate solid electrolytes, lithium argyrodites stand out for their exceptional ionic conductivity and compositional flexibility. Recent studies have revealed strongly anharmonic, liquid-like ion and lattice dynamics in these materials, including the collapse of soft phonons driven by $Li^+ $diffusion, which impacts both local vibrations and thermal transport. Yet, the connection between the local structure, phonon dynamics, and macroscopic heat transport remains unresolved. In this work, we employ post-synthesis processing to tune microstructural parameters—such as crystallite size, strain, and coherence length—in two model systems: $Li_{5.5}PS_{4.5}Cl_{1.5}$ and $Li_6PS_5Br$. We systematically examine how mechanical treatments influence structural coherence, ion and lattice dynamics, and thermal transport. To further probe the role of structural disorder, we investigate bromide substitution in $Li_6PS_5I$. Across all compounds, thermal transport above 100 K is dominated by diffusons. At lower temperatures, however, structural disorder is significantly more effective than reduced coherence length at suppressing phonon-gas-type transport, underscoring the crucial role of the local structure. Together with a detailed analysis of lithium-ion dynamics, these results provide new insights into how structural coherence and disorder govern both transport and vibrational properties in fast ionic conductors.
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001047538 7001_ $$0P:(DE-HGF)0$$aStrotmann, Kyra$$b1
001047538 7001_ $$0P:(DE-HGF)0$$aFaka, Vasiliki$$b2
001047538 7001_ $$0P:(DE-HGF)0$$aMaus, Oliver$$b3
001047538 7001_ $$0P:(DE-HGF)0$$aAbernathy, Douglas L.$$b4
001047538 7001_ $$0P:(DE-HGF)0$$aGranroth, Garrett E.$$b5
001047538 7001_ $$0P:(DE-Juel1)143752$$aJalarvo, Niina H.$$b6
001047538 7001_ $$0P:(DE-Juel1)172659$$aLi, Cheng$$b7
001047538 7001_ $$0P:(DE-HGF)0$$aSuard, Emmanuelle$$b8
001047538 7001_ $$0P:(DE-Juel1)184735$$aZeier, Wolfgang$$b9$$eCorresponding author
001047538 773__ $$0PERI:(DE-600)2702232-8$$a10.1039/D5TA07185B$$gp. 10.1039.D5TA07185B$$p39211-39228$$tJournal of materials chemistry / A$$v13$$x2050-7488$$y2025
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001047538 9141_ $$y2025
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