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All-solid-state batteries are expected to enable batteries with high energy density with the use of lithium metal anodes. Although solid electrolytes are believed to be mechanically strong enough to prevent lithium dendrites from…

Metal superhydrides, known for their high hydrogen content and polyhedral hydrogen cages, are promising candidates for high-temperature superconductivity. Recent research has emphasized "chemical pre-compression," enabling hydrogen…

Superconductivity · Physics 2025-03-06 Yuanhui Sun , Maosheng Miao

Rechargeable aqueous zinc-ion batteries (RAZIBs) attract considerable scientific and commercial interest for deployment in grid-scale energy storage due to higher safety and lower manufacturing cost when compared to lithium-ion batteries.…

Materials Science · Physics 2026-02-12 Caio Miranda Miliante , Brian D. Adams , Drew Higgins , Oleg Rubel

Understanding degradation in battery cathodes and other functional materials requires simultaneous knowledge of structural, chemical, and electronic changes in three dimensions (3D). Here, we present a simultaneous ADF-EDS-EELS tomography…

Deep learning (DL) has indeed emerged as a powerful tool for rapidly and accurately predicting materials properties from big data, such as the design of current commercial Li-ion batteries. However, its practical utility for multivalent…

Materials Science · Physics 2022-01-13 Xiuying Zhang , Jun Zhou , Jing Lu , Lei Shen

This article presents a novel empirical study for the estimation of the State of Charge (SOC) of a lithium-ion (Li-ion) battery which uses a deep learning model with three hidden layers. We model a series of ten vehicle drive cycles that…

Signal Processing · Electrical Eng. & Systems 2020-11-20 Alexandre Barbosa de Lima , Maurício B. C. Salles , José Roberto Cardoso

Lithium-ion battery (Li-ion) is becoming the dominant energy storage solution in many applications such as hybrid electric and electric vehicles, due to its higher energy density and longer life cycle. For these applications, the battery…

Systems and Control · Electrical Eng. & Systems 2024-12-20 Jeongeun Son , Yuncheng Du

Density functional theory calculations have been used to identify stable layered Li-$M$-B crystal structure phases derived from a recently proposed binary metal-sandwich (MS) lithium monoboride superconductor. We show that the MS lithium…

Superconductivity · Physics 2009-11-13 Aleksey N. Kolmogorov , Matteo Calandra , Stefano Curtarolo

Multivalent batteries are an energy storage technology with the potential to surpass lithium-ion batteries, however their performance has been limited by the low voltages and poor solid-state ionic mobility of available cathodes. A…

Materials Science · Physics 2022-04-13 Ann Rutt , Jimmy-Xuan Shen , Matthew Horton , Jiyoon Kim , Jerry Lin , Kristin A. Persson

When two electrode open-circuit potentials form a full-cell OCV (open-circuit voltage) model, cell-level SOH (state of health) parameters related to LLI (loss of lithium inventory) and LAM (loss of active materials) naturally appear. Such…

Chemical Physics · Physics 2024-04-04 Jing Lin , Edwin Khoo

Recent years have seen a rapidly escalating demand for battery technologies capable of storing more energy, charging more quickly and having longer usable lifetimes, driven largely by increased electrification of transport and by grid-scale…

The properties of rechargeable lithium-ion batteries are determined by the electrochemical and kinetic properties of their constituent materials as well as by their underlying microstructure. Microstructural design can be leveraged to…

Materials Science · Physics 2022-03-11 Giovanna Bucci , Tushar Swamy , W. Craig Carter , Morad Behandish

Higher loading of active electrode materials is desired in batteries, especially those based on conversion reactions, for enhanced energy density and cost efficiency. However, increasing active material loading in electrodes can cause…

Machine Learning · Computer Science 2024-12-30 Vidushi Sharma , Andy Tek , Khanh Nguyen , Max Giammona , Murtaza Zohair , Linda Sundberg , Young-Hye La

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

The design of solid state batteries with lithium anodes is attracting attention for the prospect of high capacity and improved safety over liquid electrolyte systems. The nature of transport with lithium as the current carrier has as a…

Materials Science · Physics 2024-10-14 Mostafa Faghih Shojaei , Rahul Gulati , Krishna Garikipati

Revealing the dynamic structural evolution and lithium transport properties during the charge/discharge processes is crucial for optimizing graphite anodes in lithium-ion batteries, enabling high stability and fast-charging performance.…

Materials Science · Physics 2025-08-11 Liqi Wang , Xuhe Gong , Zicun Li , Ruijuan Xiao , Hong Li

The design and performance of liquid metal batteries, a new technology for grid-scale energy storage, depend on fluid mechanics because the battery electrodes and electrolytes are entirely liquid. Here we review prior and current research…

Fluid Dynamics · Physics 2017-10-10 Douglas H. Kelley , Tom Weier

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

The structural stability and electrochemical performance of boron substituted fluorinated graphite as a Li ion batteries cathode material are studied by first principles calculations. The results show that boron substituted fluorinated…

Materials Science · Physics 2020-11-17 Zhiqiang Wang , Lixin Xiong , Wenwei Luo , Bo Xu , Chuying Ouyang

Sodium-ion batteries have gained much interest over the past years and especially layered oxides are highly considered as cathodes for the next generation of batteries. However, there are still significant challenges to overcome in these…

Materials Science · Physics 2025-12-09 Konstantin Köster , Payam Kaghazchi