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Core-shell electrode particles are a promising morphology control strategy for high-performance lithium-ion batteries. However, experimental observations reveal that these structures remain prone to mechanical failure, with shell fractures…

Computational Engineering, Finance, and Science · Computer Science 2025-11-14 Y. Tu , B. Wu , E. Martínez-Pañeda

The Solid-Electrolyte Interphase, SEI, formed on a battery electrode has been a central area of research for decades. This thin, complex layer profoundly impacts the electrochemical deposition morphology and stability of the metal in…

Materials Science · Physics 2025-03-19 Stephen T. Fuller , J. -X. Kent Zheng

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

Solid electrolytes are widely considered as the enabler of lithium metal anodes for safe, durable, and high energy density rechargeable lithium-ion batteries. Despite the promise, failure mechanisms associated with solid-state batteries are…

Applied Physics · Physics 2022-05-04 Zeeshan Ahmad , Victor Venturi , Shashank Sripad , Venkatasubramanian Viswanathan

Electrode morphology critically determines the stability and efficiency of lithium metal anodes, yet no predictive framework has explained how measurable parameters control deposition. Here we introduce the first theoretical model of…

Materials Science · Physics 2025-10-21 Hanning Zhang , Oleg V. Yazyev , Ruslan Yamaletdinov

The optimization of the electrode manufacturing process is important for upscaling the application of Lithium Ion Batteries (LIBs) to cater for growing energy demand. In particular, LIB manufacturing is very important to be optimized…

Machine Learning · Computer Science 2023-07-13 Marc Duquesnoy , Chaoyue Liu , Vishank Kumar , Elixabete Ayerbe , Alejandro A. Franco

The development of multifunctional solid-state materials is key to advancing lithium-ion batteries with enhanced safety and simplified architectures. Here, we report a scalable, highly efficient (near $100\%$), solvent-free mechanochemical…

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

Moving to larger cell formats in lithium-ion batteries increases overall useable energy but introduces inhomogeneities that influence aging. This study investigates degradation in 21700-type cells with NCM cathodes and graphite/SiOx anodes…

High degree of fluorination for ether electrolytes has resulted in improved cycling stability of lithium metal batteries (LMBs) due to stable SEI formation and good oxidative stability. However, the sluggish ion transport and environmental…

Materials Science · Physics 2023-06-01 Elizabeth Zhang , Yuelang Chen , Zhiao Yu , Yi Cui , Zhenan Bao

The structure and growth of the Solid Electrolyte Interphase (SEI) region between an electrolyte and an electrode is one of the most fundamental, yet less-well understood phenomena in solid-state batteries. We present a parameter-free…

Materials Science · Physics 2024-02-07 Gracie Chaney , Andrey Golov , Ambroise van Roekeghem , Javier Carrasco , Natalio Mingo

Silicon is one of the most promising anode materials for Lithium-ion batteries. Silicon endures volume changes upon cycling, which leads to subsequent pulverization and capacity fading. These drawbacks lead to a poor lifespan and hamper the…

Materials Science · Physics 2022-12-23 Mariam Ezzedine , Fatme Jardali , Ileana Florea , Mihai-robert Zamfir , Costel-sorin Cojocaru

Discontinuous solid-solid phase transformations play a pivotal role in determining properties of rechargeable battery electrodes. By leveraging operando Bragg Coherent Diffractive Imaging (BCDI), we investigate the discontinuous phase…

Materials Science · Physics 2023-12-21 Yifei Sun , Sunny Hy , Nelson Hua , James Wingert , Ross Harder , Ying Shirley Meng , Oleg Shpyrko , Andrej Singer

Nanostructured Si is the most promising high-capacity anode material to substantially increase the energy density of Li-ion batteries. Among the remaining challenges is its low rate capability as compared to conventional materials. To…

Disordered Systems and Neural Networks · Physics 2019-01-29 Nongnuch Artrith , Alexander Urban , Yan Wang , Gerbrand Ceder

Non-destructive characterization of lithium-ion batteries provides critical insights for optimizing performance and lifespan while preserving structural integrity. Optimizing electrolyte design in commercial LIBs requires consideration of…

We have investigated the lithium capacity of the 2H phase of niobium sulphide (NbS2) using density functional theory calculations and experiments. Theoretically, this material is found to allow the intercalation of a double layer of Li in…

The new methodology proposed in this work uses oxide filaments/fibers instead of a dense thin film electrolyte, allowing: (i) straightforward fabrication without the use of costly thin film production techniques, (ii) minor changes in the…

Materials Science · Physics 2017-05-31 Salim Erol

Li3VO4/C composites have been synthesized by a sol-gel method and post-annealing at 650 {\deg}C for 1 h in N2 flow using either tartaric acid, malic acid, or glucose as both chelating agents and carbon source. The presence of these organic…

Materials Science · Physics 2020-12-17 E. Thauer , G. S. Zakharova , S. A. Wegener , Q. Zhu , R. Klingeler

It is of great importance to develop inorganic solid electrolytes with high ionic conductivity, thus enabling solid state Li-ion batteries to address the notorious safety issue about the current technology due to use of highly flammable…

Chemical Physics · Physics 2017-07-17 Zhuo Wang , Min Jie Xuan , Hong Jie Xu , Guosheng Shao

Sodium ion batteries (SIBs) are considered as an efficient alternative for lithium-ion batteries (LIBs) owing to the natural abundance and low cost of sodium than lithium. In this context, the anode materials play a vital role in…

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