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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

We study two thermo-electrochemical models for lithium-ion batteries. The first is based on volume averaging the electrode microstructure whereas the second is based on the pseudo-two-dimensional (P2D) approach which treats the electrode as…

Applied Physics · Physics 2019-07-08 Matthew G. Hennessy , Iain R. Moyles

Ionic liquids are promising candidates for novel electrolytes as they possess large electrochemical and thermodynamic stability and offer a high degree of tunability. As purely-ionic electrolyte without neutral solvent they exhibit…

Chemical Physics · Physics 2022-01-12 Max Schammer , Birger Horstmann , Arnulf Latz

Understanding the behavior of charged complex fluids is crucial for a plethora of important industrial, technological, and medical applications. Using coarse-grained molecular dynamics simulations, here we investigate the properties of a…

Soft Condensed Matter · Physics 2022-08-04 Debarshee Bagchi

Achieving Li-S batteries' promise of significantly higher gravimetric energy density and lower cost than Li-ion batteries requires researchers to delineate the most important factors affecting the performance of this technology. By encoding…

Chemical Physics · Physics 2021-12-17 Michael Cornish , Monica Marinescu

A nonlinear phase-field model is developed to simulate corrosion damage. The motion of the electrode$-$ electrolyte interface follows the usual kinetic rate theory for chemical reactions based on the Butler-Volmer equation. The model links…

Chemical Physics · Physics 2024-08-28 M. Makuch , S. Kovacevic , M. R. Wenman , E. Martínez-Pañeda

Fast-charging of lithium-ion batteries is essential for electric vehicle adoption, but aggressive charging can accelerate its degradation and create safety risks. This study investigates a control framework that coordinates charging current…

Systems and Control · Electrical Eng. & Systems 2026-05-26 Frederic Fabry , Alessio Lodge , Robinson Medina , Feye Hoekstra , Steven Wilkins , Madalin Frunzete

Electric double-layer capacitors (EDLCs), consisting of an ionic fluid between two metallic electrodes, are electrochemical energy storage devices complementary to batteries, allowing for a faster charge/discharge. The charging dynamics in…

Soft Condensed Matter · Physics 2026-05-19 Megh Dutta , Ivan Palaia , Emmanuel Trizac , Benjamin Rotenberg

We consider basic and easily extendible transport formulations for lithium batteries consisting of an anode (Li-foil), a separator (polymer electrolyte), and a composite cathode (composed of electrolyte and intercalation particles). Our…

Applied Physics · Physics 2018-12-06 Jeta Molla , Markus Schmuck

The pseudo-4D Doyle-Fuller-Newman (DFN) model enables predictive simulation of lithium-ion batteries with three-dimensional electrode architectures and particle-scale diffusion, extending the standard pseudo-2D (P2D) formulation to fully…

In this study we construct a data-driven model describing Lithium plating in a battery cell, which is a key process contributing to degradation of such cells. Starting from the fundamental Doyle-Fuller-Newman (DFN) model, we use asymptotic…

Chemical Physics · Physics 2024-08-28 Avesta Ahmadi , Kevin J. Sanders , Gillian R. Goward , Bartosz Protas

In this report, future performance demands of batteries for various vehicular applications are modeled. Vehicles ranging in size from electric bikes to heavy trucks are assessed using driving cycle data which allows key performance…

Materials Science · Physics 2016-06-22 Gorazd Lampic , Gorazd Gotovac , Hugh Geaney , Colm O'Dwyer

Electrolyte stability against oxidation is one of the important factors limiting the development of high energy density batteries. HOMO level of solvent molecules has been successfully used for understanding trends in their oxidative…

Chemical Physics · Physics 2019-12-04 Vikram Pande , Venkatasubramanian Viswanathan

In this article, a novel implementation of a widely used pseudo-two-dimensional (P2D) model for lithium-ion battery simulation is presented with a transmission line circuit structure. This implementation represents an interplay between…

Chemical Physics · Physics 2021-11-03 Zeyang Geng , Siyang Wang , Matthew J. Lacey , Daniel Brandell , Torbjörn Thiringer

Essential to various practical applications of lithium-ion batteries is the availability of accurate equivalent circuit models. This paper presents a new coupled electro-thermal model for batteries and studies how to extract it from data.…

Systems and Control · Electrical Eng. & Systems 2024-08-21 Hao Tu , Xinfan Lin , Yebin Wang , Huazhen Fang

The degradation process of lithium-ion batteries is intricately linked to their entire lifecycle as power sources and energy storage devices, encompassing aspects such as performance delivery and cycling utilization. Consequently, the…

Machine Learning · Computer Science 2023-08-16 Yue Xiang , Bo Jiang , Haifeng Dai

The capacity fade of modern lithium ion batteries is mainly caused by the formation and growth of the solid-electrolyte interphase (SEI). Numerous continuum models support its understanding and mitigation by studying SEI growth during…

Chemical Physics · Physics 2020-10-29 Lars von Kolzenberg , Arnulf Latz , Birger Horstmann

Electrolyte decomposition reactions on Li-ion battery electrodes contribute to the formation of solid electrolyte interphase (SEI) layers. These SEI layers are one of the known causes for the loss in battery voltage and capacity over…

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

An important objective of designing lithium-ion rechargeable battery cells is to maximize their rate performance without compromising the energy density, which is mainly achieved through computationally expensive numerical simulations at…

Materials Science · Physics 2020-05-05 Fan Wang , Ming Tang
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