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The oxide known as LLZO, with nominal composition Li7La3Zr2O12, is a promising solid electrolyte for Li-based batteries due to its high Li-ion conductivity and chemical stability with respect to lithium. Solid electrolytes may also enable the use of metallic Li anodes by serving as a physical barrier that suppresses dendrite initiation and propagation during cycling. Prior linear elasticity models of the Li electrode/solid electrolyte interface suggest that the stability of this interface is hig

The oxide with nominal composition Li7La3Zr2O12 (LLZO) is a promising solid electrolyte thanks to its high (bulk) Li-ion conductivity, negligible electronic transport, chemical stability against Li metal, and wide electrochemical window. Despite these promising characteristics, recent measurements suggest that microstructural features, specifically, grain boundaries (GBs), contribute to undesirable short-circuiting and resistance in polycrystalline LLZO membranes. Toward the goal of understandin

Models based on linear elasticity suggest that a solid electrolyte with a high shear modulus will suppress "dendrite" formation in batteries that use metallic lithium as the negative electrode. Nevertheless, recent experiments find that lithium can penetrate stiff solid electrolytes through microstructural features, such as grain boundaries. This failure mode emerges even in cases where the electrolyte has an average shear modulus that is an order of magnitude larger than that of Li. Adopting th

Solid electrolytes (SEs) are promising candidates for enhancing the energy density and safety of conventional lithium-ion batteries. Recently, lithium thioantimonate iodide argyrodites have been regarded as promising SEs because of their high ionic conductivities and air-stability. In this study, we utilized high-energy ball milling to synthesize Ge-substituted thioantimonate argyrodites and achieved an ionic conductivity of 16.1 mS cm–1 for Li6.5Sb0.5Ge0.5S5I, which is the highest value among t

Although several solid electrolyte (SE) candidates have been explored, achieving the necessary combination of performance, stability, and processability has been challenging. Recently, several lithium ternary halides have attracted increasing attention for SEs because of their favorable combination of high ionic conductivity and wide electrochemical window. This study aims to provide a material design strategy for lithium halides Li3MX6 (X = Cl, Br, and I) for high-voltage all-solid-state Li-ion

Using ab initio molecular dynamics, the atomic structure and transport properties of eutectic Ga-In and Ga-In-Sn are investigated. The Kubo-Greenwood (K-G) and the Ziman-Faber (Z-F) formulations and the Wiedemann-Franz (W-F) law are used for the electrical and electronic thermal conductivity. The species diffusivity and the viscosity are also predicted using the mean square displacement and the Stokes-Einstein (S-E) relation. Alloying Ga causes more disordered structure, i.e., broadening the ato

The development of solid electrolytes (SEs) is a promising pathway to improve the energy density and safety of conventional Li-ion batteries. Several lithium chloride SEs, Li₃MCl₆ (M = Y, Er, In, and Sc), have gained popularity due to their high ionic conductivity, wide electrochemical window, and good chemical stability. This study systematically investigated 17 Li₃MCl₆ SEs to identify novel and promising lithium chloride SEs. Calculation results reve

Lithium-based solid electrolytes have been investigated in many studies for improving the energy density and safety of conventional Li-ion batteries. Recently, Li argyrodites (Li6+xSb1–xSixS5I) have been reported as promising superionic conductors, exhibiting an ionic conductivity above 10 mS cm–1. This study examined the high ionic conductivities of Li6+xSb1–xSixS5I using first-principles calculations and subsequent experiments. The calculation results demonstrate that the Li ionic conductiviti

All-solid-state Li-ion batteries (ASSLIBs) with solid electrolytes (SEs) are promising next-generation batteries owing to their high energy density and high safety. Recently, lithium chloride SEs have attracted increasing attention because of their high ionic conductivity and broad electrochemical stability window. However, only a few studies have been reported for the application of lithium chloride SEs in high-energy ASSLIBs employing lithium metal anodes and high-voltage cathode materials. Th

A materials design strategy for sodium chloride solid electrolytes was developed through systematic assessment of the phase stability, electrochemical stability, and transport properties of novel Na 3 MCl 6 .

Abstract Aqueous zinc‐ion batteries (AZIBs) have recently gained significant attention for grid‐scale energy storage applications owing to their high intrinsic energy density, low cost, and environmental benignity. Nevertheless, uncontrolled Zn dendrite accumulation, H 2 gas generation, and inevitable corrosion resulting from intricate water‐induced side‐reactions remain the main hurdles to AZIB commercialization. To overcome these problems, it is imperative to develop easy‐to‐handle strategies

<TEX>$LiFePO_4$</TEX> is a promising active material (AM) suitable for use in high performance lithium-ion batteries used in automotive applications that require high current capabilities and a high degree of safety and reliability. In this study, an optimization of the electrode design parameters was performed to produce high capacity lithium-ion batteries based on <TEX>$LiFePO_4$</TEX>/graphite electrodes. The electrode thickness and porosity (AM density) are the two most important design para