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Computational modeling is vital for the fundamental understanding of processes in Li-ion batteries. However, capturing nanoscopic to mesoscopic phase thermodynamics and kinetics in the solid electrode particles embedded in realistic…

Small amounts of high-capacity silicon-based materials are already used in the anode of commercial Li-ion batteries, helping increase their energy density. Despite their remarkable storage capability, silicon continuously reacts with the…

We perform phase-field simulations of the electrodeposition process that forms dendrites within metal-anode batteries including anisotropic representation. We describe the evolution of a phase field, the lithium-ion concentration, and an…

This paper presents a novel diffuse-interface electrochemical model that simultaneously simulates the evolution of the metallic negative electrode and interfacial voids during the stripping and plating processes in solid-state batteries.…

Materials Science · Physics 2024-12-24 Sourav Chatterjee , Michael Tonks , William Gardner , Marina Sessim

We present a sensitive characterization method to image the microstructure of lithium deposits in lithium-ion battery components by Conduction Electron Paramagnetic Resonance Imaging (CEPRI). The versatility of the method is demonstrated…

Chemical Physics · Physics 2018-02-02 Arvid Niemöller , Peter Jakes , Rüdiger-A. Eichel , Josef Granwehr

Despite advancements in silicon-based anodes for high-capacity lithium-ion batteries, their widespread commercial adoption is still hindered by significant volume expansion during cycling, especially at high active mass loadings crucial for…

The use of Si anodes can greatly improve the energy density of Li-ion batteries. However, understanding and mitigation of calendar aging remains a barrier to commercialization. In this short report, we utilize operando Nuclear Magnetic…

Materials Science · Physics 2025-09-24 Evelyna Wang , Marco-Tulio F. Rodrigues , Baris Key

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…

Investigation of HV-CMOS sensors for use as a tracking detector in the ATLAS experiment at the upgraded LHC (HL-LHC) has recently been an active field of research. A potential candidate for a pixel detector built in Silicon-On-Insulator…

Instrumentation and Detectors · Physics 2017-10-27 B. Hiti , V. Cindro , A. Gorišek , T. Hemperek , T. Kishishita , G. Kramberger , H. Krüger , I. Mandić , M. Mikuž , N. Wermes , M. Zavrtanik

Crystalline to amorphous phase transformation during initial lithiation in (100) silicon-wafers is studied in an electrochemical cell with lithium metal as the counter and reference electrode. It is demonstrated that severe stress jumps…

Ionic behaviors, including ion distributions and hydration characteristics at solid-liquid interfaces, are important research interests in many important applications, such as electric double-layer capacitors and water lubrication. Here, we…

Chemical Physics · Physics 2025-12-08 Bowen Ai , Zekun Gong , Long Ma , Hongwen Zhang , Tianyi Sui , Yinghua Qiu

The sequential group-by-group charging/discharging in Li batteries with phase-separation thermodynamics was detected by numerical simulations and justified by several experiments published in literature. The present work is the first to…

Pattern Formation and Solitons · Physics 2021-04-22 Moshe Sheintuch , Olga Nekhamkina

Lithium-ion batteries (LIBs) of high energy density and light-weight design, have found wide applications in electronic devices and systems. Degradation mechanisms that caused by lithiation is a main challenging problem for LIBs with high…

Computational Engineering, Finance, and Science · Computer Science 2020-06-26 Masoud Ahmadi

We have investigated the surface of lithium metal using x-ray photoemission spectroscopy and optical spectroscopic ellipsometry. Even if we prepare the surface of lithium metal rigorously by chemical cleaning and mechanical polishing inside…

Materials Science · Physics 2022-09-22 Ambrose Seo , Andrew Meyer , Sujan Shrestha , Ming Wang , Xingcheng Xiao , Yang-Tse Cheng

A main source of capacity fading in lithium-ion batteries is the degradation of the active cathode materials caused by the series of volume changes during charge and discharge cycles. The quaternary colquiriite-type fluorides…

Materials Science · Physics 2023-10-24 A. F. Baumann , D. Mutter , D. F. Urban , C. Elsässer

Density-functional-theory (DFT) calculations have been performed on the Li-Si and Li-Ge systems. Lithiated Si and Ge, including their metastable phases, play an important technological r\^ole as Li-ion battery (LIB) anodes. The calculations…

Materials Science · Physics 2015-06-18 Andrew J. Morris , C. P. Grey , C. J Pickard

Despite being the major cause of battery safety issues and detrimental performance, a comprehensive growth mechanism for metallic lithium deposited at electrode surfaces in lithium metal batteries remains elusive. While lithium surface…

Materials Science · Physics 2023-04-05 Christophe Didier , Elliot P. Gilbert , Jitendra Mata , Vanessa Peterson

The growth of the semiconductor and solar industry has been exponential in the last two decades due to the computing and energy demands of the world. Silicon (Si) is one of the main constituents for both sectors and, thus, is used in large…

A new superstructure of layered pristine LiNiO2 (LNO) was obtained optimizing a large supercell of the 166 space group, the one observed experimentally by XRD, and relaxing both cell parameters and internal positions. The crystal structure…

Materials Science · Physics 2023-10-19 Saleem Yousuf , Md Maruf Mridha , Rita Magri

Varying the amounts of silicon and carbon, different composites have been prepared by ball milling of Si, Ni$_{3.4}$Sn$_4$, Al and C. Silicon and carbon contents are varied from 10 to 30 wt.% Si, and 0 to 20 wt.% C. The microstructural and…