Beyond LGPS: Superionic conduction meets chemomechanical anisotropy in Li₁₁AlP₂S₁₂ solid-state Li-ion batteries
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OpenAlex topics: Advanced Battery Materials and Technologies · Advancements in Battery Materials · Thermal Expansion and Ionic Conductivity
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References (100+)
Show source-provided references
1. Recent progress of sulfide electrolytes for all-solid-state lithium batteries
2. Unveiling the power of sulfide solid electrolytes for next-generation all-solid-state lithium batteries
3. Electrochemical window of the Li-ion solid electrolyte Li7La3Zr2O1210.1021/acsenergylett.6b00593 ↗
4. Solid-state lithium-ion battery electrolytes: revolutionizing energy density and safety10.1016/j.hybadv.2024.100339 ↗
5. Inorganic solid-state electrolytes for lithium batteries: mechanisms and properties governing ion conduction10.1021/acs.chemrev.5b00563 ↗
6. Current status and future directions in environmental stability of sulfide solid-state electrolytes for all-solid-state batteries10.34133/energymatadv.0021 ↗
7. Solid-state electrolytes for lithium-ion batteries: fundamentals, challenges and perspectives10.1007/s41918-019-00048-0 ↗
8. Sulfide-based composite solid electrolyte films for all-solid-state batteries10.1038/s43246-024-00482-8 ↗
9. Thio-/LISICON and LGPS-type solid electrolytes for all-solid-state lithium-ion batteries10.1002/adfm.202203551 ↗
10. A lithium superionic conductor10.1038/nmat3066 ↗
11. All-solid-state lithium metal batteries with sulfide electrolytes: understanding interfacial ion and electron transport10.1021/accountsmr.1c00137 ↗
12. Li10Si0.3Sn0.7P2S12 – a low-cost and low-grain-boundary-resistance lithium superionic conductor10.1016/j.jpowsour.2016.08.115 ↗
13. Interfacial challenges and strategies toward practical sulfide-based solid-state lithium batteries10.34133/energymatadv.0022 ↗
14. Ductile inorganic solid electrolytes for all-solid-state lithium batteries10.1021/acs.chemrev.4c00894 ↗
15. Recent development of sulfide solid electrolytes and interfacial modification for all-solid-state rechargeable lithium batteries10.1016/j.jascer.2013.03.005 ↗
16. Directing ion transport and interfacial chemistry in pnictogen-substituted thio-LISICONs10.1021/acsami.4c22390 ↗
17. Understanding the role of aliovalent cation substitution on the li-ion diffusion mechanism in Li6+xP1−xSixS5Br argyrodites10.1039/D3MA01042B ↗
18. Phase stability, electrochemical stability and ionic conductivity of the Li10±1MP2X12 (M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors10.1039/C2EE23355J ↗
19. A solid lithium superionic conductor Li11AlP2S12 with a thio-LISICON analogous structure10.1039/C6CC02131J ↗
20. Review of various sulfide electrolyte types for solid-state lithium-ion batteries10.1515/eng-2022-0043 ↗
21. Data-driven first-principles methods for the study and design of Alkali superionic conductors10.1021/acs.chemmater.6b02648 ↗
22. High-throughput computational screening for solid-state Li-ion conductors10.1039/C9EE02457C ↗
23. Failure mechanism of solid-state electrolyte Li10GeP2S12 in a moist atmosphere: a first-principles study10.1039/D1MA01246K ↗
24. Compliant yet brittle mechanical behavior of Li2S–P2S5 lithium-ion-conducting solid electrolyte10.1002/aenm.201602011 ↗
25. A comprehensive review of sulfide solid-state electrolytes: properties, synthesis, applications, and challenges10.3390/cryst15060492 ↗
26. Challenges and opportunities of practical sulfide-based all-solid-state batteries10.1016/j.etran.2023.100272 ↗
27. High Li-ion conductivity in tetragonal LGPO: a comparative first-principles study against known LISICON and LGPS phases
28. Understanding molecular simulation: from algorithms to applications
29. Polymorphic transitions in single crystals: a new molecular dynamics method10.1063/1.328693 ↗
30. The PSEUDODOJO: training and grading a 85 element optimized norm-conserving pseudopotential table10.1016/j.cpc.2018.01.012 ↗
31. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
32. Constant pressure molecular dynamics for molecular systems10.1080/00268978300102851 ↗
33. Nosé–Hoover chains: the canonical ensemble via continuous dynamics10.1063/1.463940 ↗
34. Crystal structure and pair potentials: a molecular-dynamics study10.1103/PhysRevLett.45.1196 ↗
35. First-principle-constant pressure molecular dynamics10.1016/0022-3697(94)00228-2 ↗
36. Surface energies of elemental crystals10.1038/sdata.2016.80 ↗
37. SurfFlow: high-throughput surface energy calculations for arbitrary crystals10.1016/j.commatsci.2024.112799 ↗
38. Nanoparticle shapes by using Wulff constructions and first-principles calculations10.3762/bjnano.6.35 ↗
39. Extracting convergent surface energies from slab calculations
40. Cooperative transport of lithium in disordered Li10MP2S12 (M = Sn, Si) electrolytes for Li-ion batteries10.1021/acs.chemmater.4c01791 ↗
41. First principles study of the Li10GeP2S12 lithium super ionic conductor material10.1021/cm203303y ↗
42. Statistical variances of diffusional properties from ab initio molecular dynamics simulations10.1038/s41524-018-0074-y ↗
43. Ionic correlations and failure of Nernst-Einstein relation in solid-state electrolytes
44. Dynamical screening and ionic conductivity in water from ab initio simulations10.1103/PhysRevLett.107.185901 ↗
45. Relations between the fractional Stokes−Einstein and Nernst−Einstein equations and velocity correlation coefficients in ionic liquids and molten salts10.1021/jp102687r ↗
46. Correlations from Ion Pairing and the Nernst-Einstein equation10.1103/PhysRevLett.122.136001 ↗
47. Ion-pairing and electrical conductivity in the ionic liquid 1-n-butyl-3-methylimidazolium methylsulfate [Bmim][MeSO4]: molecular dynamics simulation study10.1021/acs.jpcb.7b06039 ↗
48. Ionic conductivity of nanocrystalline and amorphous Li10GeP2S12: the detrimental impact of local disorder on ion transport10.1021/jacs.1c13477 ↗
49. Li10GeP2S12-xSex solid solution as a new Li+ solid-state electrolyte10.1016/j.ceramint.2024.11.447 ↗
50. Theory of simple liquids
51. Diffusion in solids
52. Front · 2004 · i
53. Bridging the gap between simulated and experimental ionic conductivities in lithium superionic conductors
54. Predicting ionic conductivity in solids from the machine-learned potential energy landscape10.1103/PhysRevResearch.7.023167 ↗
55. Non-local interactions determine local structure and lithium diffusion in solid electrolytes10.1038/s41467-025-56662-8 ↗
56. SoftBV – a software tool for screening the materials genome of inorganic fast ion conductors10.1107/S2052520618015718 ↗
57. Bond softness sensitive bond-valence parameters for crystal structure plausibility tests10.1107/S2052252517010211 ↗
58. Brown · 2016
59. Bond-valence parameters obtained from a systematic analysis of the inorganic crystal structure database10.1107/S0108768185002063 ↗
60. Allen · 2017
61. Comparing the descriptors for investigating the influence of lattice dynamics on ionic transport using the superionic conductor Na3PS4–xSex10.1021/jacs.8b09340 ↗
62. Tuning mobility and stability of lithium ion conductors based on lattice dynamics10.1039/C7EE03364H ↗
63. High-throughput screening of solid-state Li-ion conductors using lattice-dynamics descriptors10.1016/j.isci.2019.05.036 ↗
64. Enhancement of ion diffusion by targeted phonon excitation
65. Fast rotational dynamics in argyrodite-type Li6PS5X (X: Cl, Br, I) as seen by 31P nuclear magnetic relaxation—on cation–Anion coupled transport in thiophosphates10.1021/acs.chemmater.9b01435 ↗
66. Simulations with machine learning potentials identify the ion conduction mechanism mediating non-arrhenius behavior in LGPS10.1088/2515-7655/acbbef ↗
67. Influence of lattice polarizability on the ionic conductivity in the lithium superionic argyrodites Li6PS5X (X = Cl, Br, I)10.1021/jacs.7b06327 ↗
68. Strongly anharmonic phonons and their role in superionic diffusion and ultralow thermal conductivity of Cu7PSe610.1002/aenm.202200596 ↗
69. Liquid-like dynamics in a solid-state lithium electrolyte
70. Instantaneous normal mode approach to liquid State dynamics10.1021/jp963706h ↗
71. Phonons and lithium diffusion in LiAlO₂10.1103/PhysRevB.103.174109 ↗
72. The nonexistence of a paddlewheel effect in superionic conductors10.1073/pnas.2316493121 ↗
73. Anharmonic cation–Anion coupling dynamics assisted lithium-ion diffusion in sulfide solid electrolytes10.1002/adma.202207411 ↗
74. Mechanistic origin of superionic lithium diffusion in anion-disordered Li6PS5X argyrodites10.1021/acs.chemmater.0c03738 ↗
75. Python materials genomics (pymatgen): a robust, open-source python library for materials analysis10.1016/j.commatsci.2012.10.028 ↗
76. Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry10.1038/s41467-018-06682-4 ↗
77. Electrochemical stability of Li10GeP2S12 and Li7La3Zr2O12 solid electrolytes10.1002/aenm.201501590 ↗
78. Ab initio study on lithium anode interface instability and stabilization of superionic Li3InCl6 and Li6PS5Cl solid electrolytes10.1016/j.jpowsour.2025.236719 ↗
79. Interfaces in solid-state lithium batteries10.1016/j.joule.2018.07.009 ↗
80. Operando X-ray photoelectron spectroscopy of solid electrolyte interphase formation and evolution in Li2S-P2S5 solid-state electrolytes10.1038/s41467-018-04762-z ↗
81. Impedance characterization reveals mixed conducting interphases between sulfidic superionic conductors and lithium metal electrodes10.1016/j.jpowsour.2017.03.103 ↗
82. Dipole correction for surface supercell calculations10.1103/PhysRevB.59.12301 ↗
83. Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)10.1103/PhysRevB.46.16067 ↗
84. Generalized dipole correction for charged surfaces in the repeated-slab approach10.1103/PhysRevB.102.045403 ↗
85. The stability of ionic crystal surfaces10.1088/0022-3719/12/22/036 ↗
86. Insights into the performance limits of the Li7P3S11 superionic conductor: A combined first-principles and experimental study10.1021/acsami.6b00833 ↗
87. Atomic-level insights into the highly conductive lithium thio-phosphate solid electrolytes with exceptional stability against lithium metal10.1039/D5TA00585J ↗
88. Investigation of the stability of the interface structure between LiC6 and β-Li3PS4 by first-principles calculations10.2109/jcersj2.21035 ↗
89. Computational characterization of β-Li3PS4 solid electrolyte: from bulk and surfaces to nanocrystals10.3390/nano12162795 ↗
90. Understanding interface stability in solid-state batteries10.1038/s41578-019-0157-5 ↗
91. Revealing charge transport mechanisms in Li2S2 for Li–Sulfur batteries10.1021/acs.jpclett.6b03063 ↗
92. Computational study of lithium nucleation tendency in Li7La3Zr2O12 (LLZO) and rational design of interlayer materials to prevent lithium dendrites10.1016/j.jpowsour.2018.04.098 ↗
93. Stability and formation of the Li3PS4/Li, Li3PS4/Li2S, and Li2S/Li interfaces: A theoretical study10.1021/acs.langmuir.3c02354 ↗
94. Cathodic interface in sulfide-based all-solid-state lithium batteries
95. Modeling of internal mechanical failure of all-solid-state batteries during electrochemical cycling, and implications for battery design10.1039/C7TA03199H ↗
96. The impact of elastic deformation on deposition kinetics at lithium/polymer interfaces10.1149/1.1850854 ↗
97. Mechanism of lithium metal penetration through inorganic solid electrolytes10.1002/aenm.201701003 ↗
98. Topography of engineering surfaces
99. Linear elastic stress analysis of 2D cracks
100. VI. The phenomena of rupture and flow in solids