Halide doping effect on solvent-synthesized lithium argyrodites Li6PS5X (X= Cl, Br, I) superionic conductors

Arnold, William A.; Buchberger, Dominika A.; Li, Yang; Sunkara, Mahendra K.; Druffel, Thad; Wang, Hui

doi:10.1016/j.jpowsour.2020.228158

Cited by 66 publications

(62 citation statements)

References 56 publications

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“…Li + ion diffusion occurs via these partially occupied positions, which form hexagonal cages connected to each other via the interstitial sites around the X − and S 2− ions for Li 6 PS 5 Cl and Li 6 PS 5 I, respectively. Rao and Adams [181] reported that the lattice parameters of the polycrystalline (iii) Argyrodite electrolytes can be synthesized using different methods [169,, such as the conventional sealed tube solid-state reaction [169], ball milling [181,183,187], and solution-based methods [189,208].…”

Section: Argyrodite Electrolytesmentioning

confidence: 99%

“…According to Camacho-Forero and Balbuena [184], the ionic conductivity of Li 6 PS 5 I was significantly lower than those of Li 6 PS 5 Cl and Li 6 PS 5 Br. (iii) Argyrodite electrolytes can be synthesized using different methods [169,, such as the conventional sealed tube solid-state reaction [169], ball milling [181,183,187], and solution-based methods [189,208].…”

Section: Argyrodite Electrolytesmentioning

confidence: 99%

“…Furthermore, Zhou et al [206] studied the Li 6 PS 5 X (X = Cl, Br, I) and Li 6−y PS 5−y Cl 1+y argyrodites, while Feng et al [207] investigated Li 6−x PS 5−x Cl 1+x . Recently, Arnold et al [208] reported an improved conductivity of 0.53 × 10 −3 S cm −1 at RT for Li 6 PS 5 Cl doped with LiCl and they showed the enhanced electrochemical properties with cells assembled with Li||LTO (Li 4 Ti 5 O 12 ) using bare and doped electrolyte. Although Li 6 PS 5 Cl presented good ionic conductivity, further studies on large-scale packs and the improvement in the air stability and surface protection of argyrodites are required to facilitate their large-scale applications.…”

Section: Argyrodite Electrolytesmentioning

confidence: 99%

“…Owing to their high Li + ion conductivity at room temperature, sulfide-based materials are more promising electrolytes than oxide-based ones [ 159 , 160 , 161 , 162 , 163 , 164 , 165 , 166 , 167 , 168 , 169 , 170 , 171 , 172 , 173 , 174 , 175 , 176 , 177 , 178 , 179 , 180 , 181 , 182 , 183 , 184 , 185 , 186 , 187 , 188 , 189 , 190 , 191 , 192 , 193 , 194 , 195 , 196 , 197 , 198 , 199 , 200 , 201 , 202 , 203 , 204 , 205 , 206 , 207 , 208 ,…”

Section: Sulfide Solid Electrolytesmentioning

confidence: 99%

“…(iii) Argyrodite electrolytes can be synthesized using different methods [ 169 , 178 , 179 , 180 , 181 , 182 , 183 , 184 , 185 , 186 , 187 , 188 , 189 , 190 , 191 , 192 , 193 , 194 , 195 , 196 , 197 , 198 , 199 , 200 , 201 , 202 , 203 , 204 , 205 , 206 , 207 , 208 ], such as the conventional sealed tube solid-state reaction [ 169 ], ball milling [ 181 , 183 , 187 ], and solution-based methods [ 189 , 208 ].…”

Section: Sulfide Solid Electrolytesmentioning

confidence: 99%

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Sulfide and Oxide Inorganic Solid Electrolytes for All-Solid-State Li Batteries: A Review

et al. 2020

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Energy storage materials are finding increasing applications in our daily lives, for devices such as mobile phones and electric vehicles. Current commercial batteries use flammable liquid electrolytes, which are unsafe, toxic, and environmentally unfriendly with low chemical stability. Recently, solid electrolytes have been extensively studied as alternative electrolytes to address these shortcomings. Herein, we report the early history, synthesis and characterization, mechanical properties, and Li+ ion transport mechanisms of inorganic sulfide and oxide electrolytes. Furthermore, we highlight the importance of the fabrication technology and experimental conditions, such as the effects of pressure and operating parameters, on the electrochemical performance of all-solid-state Li batteries. In particular, we emphasize promising electrolyte systems based on sulfides and argyrodites, such as LiPS5Cl and β-Li3PS4, oxide electrolytes, bare and doped Li7La3Zr2O12 garnet, NASICON-type structures, and perovskite electrolyte materials. Moreover, we discuss the present and future challenges that all-solid-state batteries face for large-scale industrial applications.

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Section: Argyrodite Electrolytesmentioning

confidence: 99%

Section: Argyrodite Electrolytesmentioning

confidence: 99%

Section: Argyrodite Electrolytesmentioning

confidence: 99%

Section: Sulfide Solid Electrolytesmentioning

confidence: 99%

Section: Sulfide Solid Electrolytesmentioning

confidence: 99%

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Sulfide and Oxide Inorganic Solid Electrolytes for All-Solid-State Li Batteries: A Review

et al. 2020

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Mechanistic Insights into the Cycling Behavior of Sulfur Dry‐Film Cathodes

Fiedler

Cangaz

Hippauf

et al. 2023

Advanced Sustainable Systems

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All‐solid‐state lithium–sulfur batteries (ASSB‐LiS batteries) are considered among advanced candidates for next‐generation energy storage systems, as they break with restrictions and limitations that liquid electrolytes impose on lithium‐ion batteries and lithium‐sulfur batteries (LiS‐batteries), meaning enhanced safety and higher energy densities. However, investigations under realistic conditions on pouch cell level are challenging, as it is necessary to implement a scalable preparation method for sheet‐type cathodes with high sulfur utilization and loading. In this study, a solvent‐free process to prepare free‐standing cathode sheets with low binder content down to 0.1 wt% PTFE is demonstrated. The contribution of binder and electrolyte on the conversion reaction of sulfur is discussed. Sheet‐type cathodes reach nearly theoretical sulfur utilization of 1672 mAh gS−1 and outstanding reversible capacity retention with 72% of initial discharge capacity after 400 cycles by adapting cut‐off voltages to the stability window of the electrolyte. Furthermore, an all‐solid‐state pouch cell is demonstrated using the dry‐film cathode, which is successfully tested for 50 cycles at different C‐rates. Thickness monitoring of the cell stack gives fundamental insights into the volume change and breathing behavior of both cathode and anode.

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Lithium Localization by Anions in Argyrodite Solid Electrolytes from Machine‐Learning‐based Simulations

Lee,

Kim,

et al. 2024

Advanced Energy Materials

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The introduction of density functional theory (DFT) has improved the study of material properties. This has enabled significant breakthroughs in solid electrolytes, which have emerged as promising candidates for next‐generation energy storage systems. However, DFT faces limitations due to the extremely high computational costs required for large atomic cells and long simulation times. In the current study, AI‐based simulations using neural network potentials (NNPs) are introduced to extend the capabilities of DFT to explore the effect of anions on lithium diffusion in Li argyrodite (Li6PS5X, X = Cl and Br). The investigation categorizes lithium frameworks into two distinct cages, demonstrating that sulfur ions in these cage centers bind the surrounding lithium ions. From the results, a strategy is proposed to enhance lithium ion conductivity by minimizing the occupation of sulfur ions in cage centers. This research provides a benchmark for evaluating lithium ionic conductivity based on anion configuration in cage centers and advances the understanding of ionic transport in Li argyrodite, informing potential improvements in energy‐storage technologies.

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Halide doping effect on solvent-synthesized lithium argyrodites Li6PS5X (X= Cl, Br, I) superionic conductors

Cited by 66 publications

References 56 publications

Sulfide and Oxide Inorganic Solid Electrolytes for All-Solid-State Li Batteries: A Review

Sulfide and Oxide Inorganic Solid Electrolytes for All-Solid-State Li Batteries: A Review

Mechanistic Insights into the Cycling Behavior of Sulfur Dry‐Film Cathodes

Lithium Localization by Anions in Argyrodite Solid Electrolytes from Machine‐Learning‐based Simulations

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