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Related papers: Quantifying the search for solid Li-ion electrolyt…

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Next-generation high-efficiency Li-ion batteries require an electrolyte that is both safe and thermally stable. A possible choice for high performance all-solid-state Li-ion batteries is a liquid crystal, which possesses properties…

We discover many new crystalline solid materials with fast single crystal Li ion conductivity at room temperature, discovered through density functional theory simulations guided by machine learning-based methods. The discovery of new solid…

Materials Science · Physics 2019-04-22 Austin D. Sendek , Ekin D. Cubuk , Evan R. Antoniuk , Gowoon Cheon , Yi Cui , Evan J. Reed

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

Solid-state electrolyte batteries are expected to replace liquid electrolyte lithium-ion batteries in the near future thanks to their higher theoretical energy density and improved safety. However, their adoption is currently hindered by…

In this review, from crystallographic symmetry to amorphous local polyhedra arrangement and combinations, we examine inorganic solid state electrolytes through the lens of structure property relationships, with oxides, sulfides, and halides…

Materials Science · Physics 2026-04-21 Denys Butenko , Mustafa Khan , Liusuo Wu , Jinlong Zhu

Li-Ion Solid-State Electrolytes (Li-SSEs) are a promising solution that resolves the critical issues of conventional Li-Ion Batteries (LIBs) such as poor ionic conductivity, interfacial instability, and dendrites growth. In this study, a…

Materials Science · Physics 2022-02-15 Seungpyo Kang , Minseon Kim , Kyoungmin Min

This manuscript explores recent advancements in solid-state sodium-based battery technology, particularly focusing on electrochemical performance and the challenges associated with developing efficient solid electrolytes. The replacement of…

Recently, machine-learning approaches have accelerated computational materials design and the search for advanced solid electrolytes. However, the predictors are currently limited to static structural parameters, which may not fully account…

Materials Science · Physics 2026-01-19 Jiyeon Kim , Donggeon Lee , Dongwoo Lee , Xin Li , Yea-Lee Lee , Sooran Kim

Next generation batteries based on lithium (Li) metal anodes have been plagued by the dendritic electrodeposition of Li metal on the anode during cycling, resulting in short circuit and capacity loss. Suppression of dendritic growth through…

There is increasing interest in materials that combine energy-storing functions with augmented mechanical properties, ranging from flexibility in bending to stretchability to structural properties. In the case of lithium-ion batteries,…

Applied Physics · Physics 2020-04-29 N. Boaretto , J. Almenara , A. Mikhalchan , R. Marcilla , J. J. Vilatela

Discovering new superionic materials is essential for advancing solid-state batteries, which offer improved energy density and safety compared to the traditional lithium-ion batteries with liquid electrolytes. Conventional computational…

The most promising solid electrolytes for all-solid-state Li batteries are oxide and sulfide ceramics. Current ceramic solid electrolytes are brittle and lack the toughness to withstand the mechanical stresses of repeated charge and…

Materials Science · Physics 2023-03-22 Anton Van der Ven , Robert M. McMeeking , Raphaële J. Clément , Krishna Garikipati

Liquid electrolytes are critical components of next-generation energy storage systems, enabling fast ion transport, minimizing interfacial resistance, and ensuring electrochemical stability for long-term battery performance. However,…

Ion-conducting solid electrolytes are widely used for a variety of purposes. Therefore, designing highly ion-conductive materials is in strongly demand. Because of advancement in computers and enhancement of computational codes, theoretical…

Computational Physics · Physics 2020-03-23 Masayuki Karasuyama , Hiroki Kasugai , Tomoyuki Tamura , Kazuki Shitara

Lithium-sulfur (Li-S) batteries offer substantial theoretical energy density gains over Li-ion bat-teries, a crucial factor for transportation electrification. In addition, sulfur is an earth-abundant, inexpensive material obtainable from…

Materials Science · Physics 2025-01-22 Praveen Balaji T , Soumyadip Choudhury , Ernesto E. Marinero

Finding new ionic conductors that enable significant advancements in the development of energy-storage devices is a challenging goal of current material science. Aside of material classes as ionic liquids or amorphous ion conductors, the…

Materials Science · Physics 2015-09-02 K. Geirhos , P. Lunkenheimer , M. Michl , D. Reuter , A. Loidl

Newly designed Li-ion battery cathode materials with high capacity and greater flexibility in chemical composition will be critical for the growing electric vehicles market. Cathode structures with cation disorder were once considered…

Management of heat during charging and discharging of Li-ion batteries is critical for their safety, reliability, and performance. Understanding the thermal conductivity of the materials comprising batteries is crucial for controlling the…

Materials Science · Physics 2021-03-17 Zhe Cheng , Beniamin Zahiri , Xiaoyang Ji , Chen Chen , Darshan Chalise , Paul V. Braun , David G. Cahill

We present a high-throughput computational screening for fast lithium-ion conductors to identify promising materials for application in all solid-state electrolytes. Starting from more than 30,000 Li-containing experimental structures…

Materials Science · Physics 2026-01-07 Tushar Singh Thakur , Loris Ercole , Nicola Marzari

Sodium-ion batteries (SIBs) share similar electrochemistry with Li but offer several advantages, including high abundance in nature and low cost, as well as suitability for fast charging due to a Na-ion mobility higher than that of Li. The…

Materials Science · Physics 2026-05-27 Suchona Akter , Mohammad R. Momeni
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