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Silicon-containing lithium-ion batteries can exhibit capacity gain early in life, which makes forecasting future cell behavior difficult. We have observed these anomalous trends even in conditions where known mechanisms, such as overhang…

Chemical Physics · Physics 2026-02-17 Marco-Tulio F. Rodrigues , Charles McDaniel , Stephen E. Trask , Daniel P. Abraham

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

Operando microscopy has unveiled key mechanistic insights in battery materials during early cycling, but long-term characterization to unveil material evolution, degradation, and failure remain limited. To address this gap, we develop a…

The large volume change of the silicon (Si) during lithiation and delithiation process has long been a problem impeding its application as one of the most promising anode materials for LIBs. In this paper, we proposed a conceptually new…

Applied Physics · Physics 2020-08-04 Zhenbin Guo , Haimin Yao

V$_{2}$O$_{5}$ in its $\omega$ phase (Li$_{3}$V$_{2}$O$_{5}$) with excess lithium is a potential alternative to the graphite anode for lithium-ion batteries at low temperature and fast charging conditions due to its safer voltage (0.6 V vs…

Advanced battery management is to lithium-ion battery systems as the brain is to the human body. Its performance rests on the use of battery models that are both fast and accurate. However, mainstream equivalent circuit models and…

Systems and Control · Electrical Eng. & Systems 2022-11-14 Nikhil Biju , Huazhen Fang

Next-generation lithium-ion batteries with silicon anodes have positive characteristics due to higher energy densities compared to state-of-the-art graphite anodes. However, the large volume expansion of silicon anodes can cause high…

Numerical Analysis · Mathematics 2024-04-03 R. Schoof , G. F. Castelli , W. Dörfler

Layered transition metal oxides (TMO) are widely used as cathode materials in Na/Li batteries. The open-circuit voltage (OCV), which determines the energy density (together with capacity), is among the key physical and chemical factors…

Materials Science · Physics 2025-07-17 Sourav Baiju , Konstantin Köster , Mark Huijben , Payam Kaghazhi

Electrosorption is a promising technique for brackish water deionization and waste water remediation. Faradaic materials with redox activity have recently been shown to enhance both the adsorption capacity and the selectivity of…

Chemical Physics · Physics 2021-01-05 Fan He , Martin Z. Bazant , T. Alan Hatton

A comprehensive understanding of interactions between cathode, electrolyte, anode, and packaging during battery operation is crucial for advancing performances but remains overlooked due to the lack of characterisation technics capable of…

Ni-rich cathode materials achieve both high voltages and capacities in Li-ion batteries but are prone to structural instabilities and oxygen loss via the formation of singlet oxygen. Using ab initio molecular dynamics simulations, we…

Two-dimensional (2D) materials can have an excellent capability to handle high rates of charge in ion batteries since metal ions need not diffuse in a 3D lattice structure. However graphene, which is the most important 2D material, is known…

Materials Science · Physics 2014-01-03 Dequan Er , Junwen Li , Michael Naguib , Michel Barsoum , Yury Gogotsi , Vivek B. Shenoy

We have studied hydrogen/lithium complexes in crystalline silicon using density-functional-theory methods and the ab initio random structure searching (AIRSS) method for predicting structures. A method based on the Maxwell construction and…

Materials Science · Physics 2012-01-25 Andrew J. Morris , C. P. Grey , R. J. Needs , Chris J. Pickard

The improvement of Li-ion battery performance requires development of models that capture the essential physics and chemistry in Li-ion battery electrode materials. In this paper a novel electrochemical phase-field model is presented that…

Asymmetric behaviors of capacitance and charging dynamics in the cathode and anode are general for nanoporous supercapacitors. Understanding this behavior is essential for the optimal design of supercapacitors. Herein, we perform…

Chemical Physics · Physics 2021-05-06 Tangming Mo , Liang Zeng , Zhenxiang Wang , Svyatoslav Kondrat , Guang Feng

In this paper we review several approaches to mathematical modeling of simple battery cells and develop these ideas further with emphasis on charge recovery and the response behavior of batteries to given external load. We focus on models…

Probability · Mathematics 2016-04-04 Ingemar Kaj , Victorien Konané

Lithium-ion technologies are increasingly employed to electrify transportation and provide stationary energy storage for electrical grids, and as such their development has garnered much attention. However, their deployment is still…

Physics and Society · Physics 2021-04-26 Micah S. Ziegler , Jessika E. Trancik

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…

Axions and axion-like particles are among the most promising candidates for dark matter and for manifestations of new physics beyond the Standard Model. In the present work, the contribution of axion exchange to the energy of lithium-like…

Atomic Physics · Physics 2026-05-13 R. R. Abdullin , A. V. Volotka , D. A. Glazov , M. G. Kozlov , A. D. Moshkin , D. V. Chubukov

It is shown that continuously occurring electrolyte-reduction reaction on freshly-exposed electrode surfaces during lithiation/delithiation cycles causes the lowering of cycling efficiency, and hence, capacity fade in well-cycled silicon…

Materials Science · Physics 2020-02-19 Vijay A. Sethuraman