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Related papers: Molecular Dynamics of Lithium Ion Transport in a M…

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This work presents a comprehensive study on the aging behavior of 18650-type lithium-ion batteries, focusing on the uneven intercalation of lithium ions during fast charging processes. It introduces a novel approach using color visual…

Materials Science · Physics 2025-04-17 Yihan Shi , Qingrui Pan , Jitao Li , Xiaoze Shi , Youchang Wang , Peng Xiao

Li$_{10}$Ge(PS$_6$)$_2$ (LGPS) is a highly concentrated solid electrolyte, in which Coulombic repulsion between neighboring cations is hypothesized as the underlying reason for concerted ion hopping, a mechanism common among superionic…

Materials Science · Physics 2022-11-29 Gavin Winter , Rafael Gómez-Bombarelli

The solid electrolyte interphase SEI critically dictates the cyclability and Coulombic efficiency of sodium-metal batteries, yet its dynamic formation mechanisms and atomic-scale evolution during electrochemical cycling remain elusive due…

Materials Science · Physics 2026-04-09 Zhoulin Liu , Ziliang Wang , Zherui Chen , Jianchun Sha , Fengzijun Pan , Pingyang Zhang , Yinghe Zhang

Recently, considerable efforts have been made on research and improvement for Ni-rich lithium-ion batteries to meet the demand from vehicles and grid-level large-scale energy storage. Development of next-generation high-performance…

Lithium ortho-thiophosphate (Li$_3$PS$_4$) has emerged as a promising candidate for solid-state-electrolyte batteries, thanks to its highly conductive phases, cheap components, and large electrochemical stability range. Nonetheless, the…

Materials Science · Physics 2024-01-11 Lorenzo Gigli , Davide Tisi , Federico Grasselli , Michele Ceriotti

Block-copolymer electrolytes with lamellar microstructure show promising results regarding the ion transport in experiments. Motivated by these observations we study block-copolymers consisting of a polystyrene (PS) block and a…

Soft Condensed Matter · Physics 2025-12-23 Len Kimms , Diddo Diddens , Andreas Heuer

The penetrations of lithium-ion batteries in transport, energy and communication systems are increasing rapidly. A meticulous model applicable for precise in-situ monitoring and convenient online controlling is in sought to bridge the gap…

Systems and Control · Electrical Eng. & Systems 2022-03-22 Yuxuan Gu , Jianxiao Wang , Yuanbo Chen , Zhongwei Deng , Hongye Guo , Kedi Zheng , Qixin Chen

Ion transport across solid solid interfaces is often slower than through the bulk of a material, impeding the charge and discharge rate of batteries. Designing highly conductive interfaces is challenging due to the need to probe ion…

A model of a lithium-ion battery containing a cosolvent electrolyte is developed and implemented within the open-source PyBaMM platform. Lithium-ion electrolytes are essential to battery operation and normally contain at least two solvents…

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…

Li ion diffusion is fundamentally a thermally activated ion hopping process. Recently, soft lattice, anharmonic phonon and paddlewheel mechanism have been proposed to potentially benefit the ion transport, while the understanding of…

Materials Science · Physics 2024-02-21 Runxin Ouyang , Yu Yang , Chaohong Guan , Hong Zhu

Solid-state electrolytes, by enabling lithium metal anodes, may significantly increase the energy density of current lithium-ion batteries. However, similar to their liquid counterparts, these hard and stiff electrolytes can still be…

Chemical Physics · Physics 2024-10-04 Rajeev Gopal , Longan Wu , Youngju Lee , Jinzhao Guo , Peng Bai

This work proposes a semi-empirical model for the SEI growth process during the early stages of lithium-ion battery formation cycling and aging. By combining a full-cell model which tracks half-cell equilibrium potentials, a…

Materials Science · Physics 2023-07-25 Andrew Weng , Everardo Olide , Iaroslav Kovalchuk , Jason B. Siegel , Anna Stefanopoulou

The high field charge injection and transport properties in reinforced silicone dielectrics were investigated by measuring the time-dependent space charge distribution and the current under dc conditions up to the breakdown field, and were…

Materials Science · Physics 2016-08-04 Yanhui Huang , Linda. S. Schadler

Lithium titanium oxide Li$_4$Ti$_5$O$_{12}$ (LTO) is an intriguing anode material promising particularly long lived batteries, due to its remarkable phase stability during (dis)charging of the cell. However, its usage is limited by its low…

Materials Science · Physics 2020-01-03 Matthias Kick , Cristina Grosu , Markus Schuderer , Christoph Scheurer , Harald Oberhofer

It is widely believed that the origin of a significant cause for the voltage and capacity fading observed in lithium (Li)-ion batteries is related to structural modifications occurring in the cathode material during the Li-ion…

Understanding the mechanical interplay between silicon anodes and their surrounding solid-electrolyte interphase (SEI) is essential to improve the next generation of lithium-ion batteries. We model and simulate a 2D elliptical silicon…

Applied Physics · Physics 2024-09-13 Raphael Schoof , Lukas Köbbing , Arnulf Latz , Birger Horstmann , Willy Dörfler

Solid-state superionic conductors (SSICs) are promising alternatives to liquid electrolytes in batteries and other energy storage technologies. The rational design of SSICs and ultimately their deployment in battery technologies is hindered…

Chemical Physics · Physics 2023-06-02 Harender S. Dhattarwal , Rahul Somni , Richard C. Remsing

Among the distinctive structural features of lithium ionic liquids (LILs), a novel class of single-component electrolytes, the variation of the electron-withdrawing group stands out as a key factor in determining their dynamics. To…

Chemical Physics · Physics 2024-02-28 Volodymyr Koverga , Selvaraj S. Chandrasekaran , Anh T. Ngo

Solid-state ion conductors hold promise as next generation battery materials. To realize their full potential, an understanding of atomic-scale ion conduction mechanisms is needed, including ionic and electronic degrees of freedom.…

Materials Science · Physics 2025-04-24 Harender S. Dhattarwal , Richard C. Remsing