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Ensuring solid-state lithium batteries perform well across a wide temperature range is crucial for their practical use. Molecular dynamics (MD) simulations can provide valuable insights into the temperature dependence of the battery…

Materials Science · Physics 2024-03-22 Zicun Li , Jianxing Huang , Xinguo Ren , Jinbin Li , Ruijuan Xiao , Hong Li

Interfacial deposition stability between Li metal and a solid electrolyte (SE) is important in preventing interfacial contact loss, mechanical fracture, and dendrite growth in Li-metal solid-state batteries (SSB). In this work, we…

Applied Physics · Physics 2020-06-08 Qingsong Tu , Luis Barroso-Luque , Tan Shi , Gerbrand Ceder

Li-containing argyrodites represent a promising family of Li-ion conductors with several derived compounds exhibiting room-temperature ionic conductivity > 1 mS/cm and making them attractive as potential candidates as electrolytes in…

Wadsley-Roth crystal structures are an attractive class of materials for batteries because lithium diffusion is facilitated by the ReO3-like block structure with electron transport enabled by edge-sharing along shear planes. However, clear…

Oxygen ion conductors are indispensable materials for such as solid oxide fuel cells, sensors, and membranes. Despite extensive research across diverse structural families, systematic data enabling comparative analysis remain scarce. Here,…

Materials Science · Physics 2026-01-26 Seong-Hoon Jang , Shin Kiyohara , Hitoshi Takamura , Yu Kumagai

Lithium zirconium chlorides (LZCs) present a promising class of cost-effective solid electrolyte for next-generation all-solid-state batteries. The unique crystal structure of LZCs plays a crucial role in facilitating lithium-ion mobility,…

Materials Science · Physics 2025-10-09 Hanzeng Guo , Volodymyr Koverga , Selva Chandrasekaran Selvaraj , Anh T. Ngo

Solid state batteries have emerged as a potential next-generation energy storage device due to safety and energy density advantages. Development of electrolyte is one of the most important topics in solid state batteries. Electrochemical…

Materials Science · Physics 2021-10-04 Changyu Deng , Wei Lu

The argyrodite sulfides are getting more and more attractive as highly promising solid-state electrolytes (SSEs) for high-performance all-solid-state batteries (ASSBs), owing to their high ionic conductivity, adequate plasticity, and decent…

Materials Science · Physics 2020-10-20 Hongjie Xu , Yuran Yu , Junhua Hu , Zhuo Wang , Guosheng Shao

Li2FeSiO4 is an important alternative cathode for next generation Li-ion batteries due to its high theoretical capacity (330 mA h/g). However, its development has faced significant challenges arising from structural complexity and poor…

Materials Science · Physics 2016-11-15 P. Vajeeston , H. Fjellvåg

Oxygen nonstoichiometry, electrical conductivity and thermal expansion of La2 xSrxNiO4-\delta phases with high levels of strontium substitution (1 =< x =< 1.4) have been investigated in air and oxygen atmosphere in the temperature range…

Materials Science · Physics 2008-12-16 Leonid V. Makhnach , Vladimir V. Pankov , Pierre Strobel

Electrical conductivity and high dielectric constant are in principle self-excluding, which makes the terms insulator and dielectric usually synonymous. This is certainly true when the electrical carriers are electrons, but not necessarily…

Measurements of electrical resistivity ($\rho$), DC magnetization ($M$) and specific heat ($C$) have been performed on layered oxide Li$_x$CoO$_2$ (0.25$\leq$$x$$\leq$0.99) using single crystal specimens. The $\rho$ versus temperature ($T$)…

Strongly Correlated Electrons · Physics 2015-05-19 K. Miyoshi , C. Iwai , H. Kondo , M. Miura , S. Nishigori , J. Takeuchi

We report a detailed magnetotransport study of the highly anisotropic quasi-one-dimensional oxide Li$_{0.9}$Mo$_6$O$_{17}$ whose in-chain electrical resistivity diverges below a temperature $T_{\rm min} \sim$ 25 K. For $T < T_{\rm min}$, a…

Strongly Correlated Electrons · Physics 2010-06-16 X. Xu , A. F. Bangura , J. G. Analytis , J. D. Fletcher , M. M. J. French , N. Shannon , J. He , S. Zhang , D. Mandrus , R. Jin , N. E. Hussey

Highly conductive solid electrolytes are one key component for the development of safe and high-power all-solid-state batteries. Enormous progress has been achieved in the field of lithium solid electrolytes. Meanwhile, their ion…

Materials Science · Physics 2017-12-14 Marc Duchardt , Uwe Ruschewitz , Stefanie Dehnen , Bernhard Roling

To unlock the full potential of lithium metal batteries, a deep understanding of lithium metal reactivity and its solid electrolyte interphase is essential. Correlative imaging, combining focused ion beam and electron microscopy offers a…

A comprehensive study of the behavior of the Mott insulator Ca_2RuO_4 under electrical current drive is performed by combining two experimental probes: the macroscopic electrical transport and the microscopic X-Ray diffraction. The…

Strongly Correlated Electrons · Physics 2020-01-01 C. Cirillo , V. Granata , G. Avallone , R. Fittipaldi , C. Attanasio , A. Avella , A. Vecchione

Recent observations have shown that at a certain composition of solid solutions AgCl$_x$Br$_{1-x}$, AgCl-CdCl$_2$, AgBr-CdBr$_2$, of ionic crystals, the electrical conductivity exhibits a value appreciably larger than that of the end…

Materials Science · Physics 2017-04-27 Vassiliki Katsika-Tsigourakou

Solid-state electrolytes have the potential to stabilize lithium metal anodes, which hold the promise to increase the energy density of lithium-ion batteries. However, lithium metal dendrites that occur locally at the solid-solid interface…

Materials Science · Physics 2025-05-09 Rajeev Gopal , Peng Bai

We have performed long time-scale molecular dynamics simulations of the cubic and tetragonal phases of the solid lithium-ion--electrolyte Li$_{7}$La$_{3}$Zr$_{2}$O$_{12}$ (LLZO), using a first-principles parameterised interatomic potential.…

Materials Science · Physics 2016-04-06 Mario Burbano , Dany Carlier , Florent Boucher , Benjamin J. Morgan , Mathieu Salanne

As one of the most promising next-generation energy storage device, lithium metal batteries have been extensively investigated. However, the poor safety issue and undesired lithium dendrites growth hinder the development of lithium metal…

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