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Electrochemical devices often consist of multicomponent electrolyte solutions. Two processes influence the overall dynamics of these devices: the formation of electrical double layers and chemical conversion due to redox reactions. However,…

Chemical Physics · Physics 2022-06-20 Nathan Jarvey , Filipe Henrique , Ankur Gupta

Achieving stable lithium metal anodes requires control over the solid-electrolyte interphase (SEI) and desolvation kinetics. Here, we develop a unified theoretical framework integrating ion transport, desolvation, charge transfer, and SEI…

Materials Science · Physics 2026-01-29 Jin Zhang , Peter W. Voorhees

In order to achieve a better understanding of degradation processes in lithium-ion batteries, the modelling of cell dynamics at the mircometer scale is an important focus of current mathematical research. These models lead to…

Numerical Analysis · Mathematics 2018-03-09 Mario Ohlberger , Stephan Rave , Sebastian Schmidt , Shiquan Zhang

Polymer electrolytes are intensely investigated for use as solid electrolytes in next generation lithium-ion and lithium-metal batteries. However, little is known about the structural and dynamical properties of polymer electrolytes close…

Soft Condensed Matter · Physics 2021-12-02 Andreas Thum , Diddo Diddens , Andreas Heuer

Future lithium-based batteries are expected to use solid electrolytes to achieve higher energy density and fast charge capabilities. The majority of solid electrolytes are thermodynamically unstable against layered oxide cathodes. Here, the…

Enhancing the ion conduction in solid electrolytes is critically important for the development of high-performance all-solid-state lithium-ion batteries (LIBs). Lithium thiophosphates are among the most promising solid electrolytes, as they…

Materials Science · Physics 2024-01-11 Zhimin Chen , Tao Du , N. M. Anoop Krishnan , Yuanzheng Yue , Morten M. Smedskjaer

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

In the quest for better energy storage solutions, the role of designing effective electrodes is crucial. Previous research has shown that using materials like single-side fluorinated graphene can improve the stability of ion insertion in…

Materials Science · Physics 2024-08-28 Yu-Hsiu Lin , Jose L. Mendoza-Cortes

Two-dimensional materials and their heterostructures have enormous applications in Electrochemical Energy Storage Systems (EESS) such as batteries. A comprehensive and solid understanding of these materials' thermal transport and mechanism…

Materials Science · Physics 2023-10-16 Dibakar Datta , Eon Soo Lee

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

Battery electrode surfaces are generally coated with electronically insulating solid films of thickness 1-50 nm. Both electrons and Li+ can move at the electrode-surface film interface in response to the voltage, which adds complexity to…

Materials Science · Physics 2015-07-10 Kevin Leung , Andrew Leenheer

Numerical simulations are a powerful tool for the development and improvement of Li-ion batteries. Modeling the mass transport of the involved electrolytic solutions requires precise determination of the corresponding electrolyte…

Chemical Physics · Physics 2024-11-21 Lukas Lehnert , Maryam Nojabaee , Arnulf Latz , Birger Horstmann

Accurate monitoring of lithium-ion battery (LIB) degradation is essential, yet it remains challenging due to the complex, nonlinear, and time-varying nature of electrochemical aging processes. Conventional equivalent circuit models (ECMs)…

Systems and Control · Electrical Eng. & Systems 2026-05-05 Khalid Mahmud Labib , Saad Waheed , Bakhtiar Nafis , Shabbir Ahmed

Lithium-ion batteries (LIBs) are the leading technology used in consumer electronics, electric vehicles, and grid-level electrochemical energy storage applications. The ever-increasing use of LIBs has highlighted a gap in understanding of…

Lithium iron phosphate (LiFePO$_4$) is the prototypical two-phase battery material, whose complex patterns of lithium ion intercalation provide a testing ground for theories of electrochemical thermodynamics. Using a depth-averaged (a-b…

Chemical Physics · Physics 2018-08-21 Daniel A. Cogswell , Martin Z. Bazant

The correct assessment of battery states is essential to maximize battery pack performances while ensuring reliable and safe operation. This work introduces EIS2MOD, a novel modelling framework for Li-ion cells based on Distribution of…

Systems and Control · Electrical Eng. & Systems 2022-03-17 Pietro Iurilli , Claudio Brivio , Rafael E. Carrillo , Vanessa Wood

Predicting the end-of-life (EOL) of lithium-ion batteries across different manufacturers presents significant challenges due to variations in electrode materials, manufacturing processes, cell formats, and a lack of generally available…

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…

Continuous solid electrolyte interface (SEI) formation remains the limiting factor of the lifetime of silicon nanoparticles (SiNPs) based negative electrodes. Methods that could provide clear diagnosis of the electrode degradation are of…

Study of the dephasing in electronic systems is not only important for probing the nature of their ground states, but also crucial to harnessing the quantum coherence for information processing. In contrast to well-studied conventional…

Mesoscale and Nanoscale Physics · Physics 2017-07-14 Jian Liao , Yunbo Ou , Haiwen Liu , Ke He , Xucun Ma , Qi-Kun Xue , Yongqing Li