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Lithium metal batteries (LMBs), when coupled with a localized high-concentration electrolyte and a high-voltage nickel-rich cathode, offer a solution to the increasing demand for high energy density and long cycle life. However, the…

Materials Science · Physics 2024-01-12 Tao Meng , Shanshan Yang , Yitong Peng , Xiwei Lan , Pingan Li , Kangjia Hu , Xianluo Hu

Lithium halides with the general formula Li$_x$M$_y$X$_6$, where M indicates transition metal ions and X halide anions are very actively studied as solid-state electrolytes, because of relatively low cost, high stability and Li…

Materials Science · Physics 2025-11-20 Davide Tisi , Sergey Pozdnyakov , Michele Ceriotti

Ether-based electrolytes exhibit excellent compatibility with Li metal anodes, but their instability at high voltages limits their use in high-voltage Li metal batteries. To address this issue, we introduce an alternative perfluorobutane…

Materials Science · Physics 2024-09-30 Jian He , Shihan Qi , Jianmin Ma , Nongnuch Artrith

Water-in-Salt-Electrolytes (WiSEs) are an exciting class of concentrated electrolytes finding applications in energy storage devices because of their expanded electrochemical stability window, good conductivity and cation transference…

The solid-state electrolyte is critical for achieving next-generation high energy density and high-safety batteries. Solid polymer electrolytes (SPEs) possess great potential for commercial application owing to their compatibility with the…

Materials Science · Physics 2023-07-04 Xiong Xiong Liu , Shengfa Feng , Pengcheng Yuan , Yaping Wang , Long Pan , ZhengMing Sun

Water-in-salt electrolytes (WiSEs) are a class of super-concentrated electrolytes that have shown much promise in replacing organic electrolytes in lithium-ion batteries. At the extremely high salt concentrations of WiSEs, ionic association…

Electrolytes mediate interactions between the cathode and anode and determine performance characteristics of batteries. Mixtures of multiple solvents are often used in electrolytes to achieve desired properties, such as viscosity,…

Chemical Physics · Physics 2024-10-22 Celia Kelly , Emil Annevelink , Adarsh Dave , Venkatasubramanian Viswanathan

Electrolyte design is critical for enabling next-generation batteries with higher energy densities. Hydrofluoroether (HFE) solvents have drawn a lot of attention as the electrolytes based on HFEs showed great promise to deliver highly…

The solid electrolyte interphase (SEI) is regarded as the most complex but the least understood constituent in secondary batteries using liquid and solid electrolytes. The nanostructures of SEIs were recently reported to be equally…

Understanding the electrodes' surface morphology influence on the ions' distribution is essential for designing the supercapacitors with enhanced energy density characteristics. We develop a model for the structure of electrolytes near the…

Statistical Mechanics · Physics 2021-06-30 Timur Aslyamov , Konstantin Sinkov , Iskander Akhatov

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

The solvation environments of Li$^+$ in conventional non-aqueous battery electrolytes, such as LiPF$_6$ in mixtures of ethylene carbaronate (EC) and ethyl methyl carbonate (EMC), are often used to rationalize the transport properties of…

Statistical Mechanics · Physics 2026-05-20 Zachary A. H. Goodwin , Daniel M. Markiewitz , Qisheng Wu , Yue Qi , Martin Z. Bazant

Lithium electrolytes are commonly described using separate conceptual frameworks for local coordination chemistry, electrostatic screening, and ionic transport. This separation is effective in dilute conditions but breaks down at higher…

Soft Condensed Matter · Physics 2026-05-12 A. Coste , E. Zunzunegui-Bru , A. van Roekeghem , I. Skarmoutsos , S. Mossa

Modelling electrolytes accurately on both a nanoscale and cell level can contribute to improving battery chemistries.[Armand and Tarascon, Nature, 2008, 451, 652-657] We previously presented a thermodynamic continuum model for…

Chemical Physics · Physics 2024-08-09 Constantin Schwetlick , Max Schammer , Arnulf Latz , Birger Horstmann

Understanding the solvation structure of electrolytes is crucial for optimizing the performance and stability of lithium-ion batteries. Novel electrolytes are essential for enhancing electrolyte structure and ensuring better integration…

Chemical Physics · Physics 2025-08-27 Rumana Hasan , Dibakar Datta

The electrolytes used in Lithium Ion Batteries (LIBs) such as LiBF4, LiPF6 etc. are Li-salts of some complex anions, BF4-, PF6- etc. The investigation shows that the vertical detachment energy (VDE) of these anions exceeds to that of…

Chemical Physics · Physics 2018-01-09 Ambrish Kumar Srivastava , Neeraj Misra

The Solid-Electrolyte Interphase, SEI, formed on a battery electrode has been a central area of research for decades. This thin, complex layer profoundly impacts the electrochemical deposition morphology and stability of the metal in…

Materials Science · Physics 2025-03-19 Stephen T. Fuller , J. -X. Kent Zheng

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…

Oxide Li-conducting solid-state electrolytes (SSEs) offer excellent chemical and thermal stability but typically exhibit lower ionic conductivity than sulfides and chlorides. This motivates the search for new oxide materials with enhanced…

Materials Science · Physics 2025-10-02 Seungwoo Hwang , Jiho Lee , Seungwu Han , Youngho Kang , Sungwoo Kang

This paper explores the mechanical behaviour of the composite materials used in modern lithium-ion battery electrodes. These contain relatively high modulus active particle inclusions within a two-component matrix of liquid electrolyte…

Computational Physics · Physics 2024-10-16 J. M. Foster , A. F. Galvis , B. Protas , S. J. Chapman
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