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Dendrite growth is a long-standing challenge that has limited the applications of rechargeable lithium metal electrodes. Here, we developed a grand potential based nonlinear phase-field model to study the electrodeposition of lithium as…

Materials Science · Physics 2018-09-12 Zijian Hong , Venkatasubramanian Viswanathan

The solid-state diffusion coefficient of the electrode active material is one of the key parameters in lithium-ion battery modelling. Conventionally, this diffusion coefficient is estimated through the galvanostatic intermittent titration…

Chemical Physics · Physics 2021-10-18 Zeyang Geng , Yu-Chuan Chien , Matthew J. Lacey , Torbjörn Thiringer , Daniel Brandell

Battery electrode surfaces are generally coated with electronically insulating solid films of thickness 1-50 nm. Both electrons and Li+ can move at the electrode-surface film interface in response to the voltage, which adds complexity to…

Materials Science · Physics 2015-07-10 Kevin Leung , Andrew Leenheer

Li metal has been deposited on the surface of a Ru(0001) single crystal containing patches of monolayer-thick epitaxial graphene islands. The use of low-energy electron microscopy and diffraction allowed us to {\em in situ} monitor the…

Si-anodes have long been candidates thanks to an expected ten-fold increase in capacity compared to graphite. However, details of the mechanisms governing their degradation remain elusive, hindering science-guided development of long-lived…

This work presents a comprehensive study on the aging behavior of 18650-type lithium-ion batteries, focusing on the uneven intercalation of lithium ions during fast charging processes. It introduces a novel approach using color visual…

Materials Science · Physics 2025-04-17 Yihan Shi , Qingrui Pan , Jitao Li , Xiaoze Shi , Youchang Wang , Peng Xiao

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

A deep learning model is employed to address the challenging problem of V2O5 nanoparticle segmentation and the correlation between the chemical composition and the geometrical features of lithiated V2O5 nanoparticles as an exemplar of a…

This study reports on advancements in operando characterization of volume changes in lithium-ion battery (LIB) electrode materials during electrochemical cycling. Volume changes are crucial for LIB operation because they are related to the…

Materials Science · Physics 2026-04-22 Erwin Hueger , Daniel Uxa , Lars Doerrer , Jochen Stahn , Harald Schmidt

Lithium-graphite intercalation compounds (Li-GICs) are the most common anode material for modern Li-ion batteries. However, the dielectric response of this material in the electrostatic limit (and its variation with the state of charge…

Materials Science · Physics 2022-10-27 Simon Anniés , Christoph Scheurer , Chiara Panosetti

Various bandstructure engineering methods have been studied to improve the performance of graphitic transparent conductors; however none demonstrated an increase of optical transmittance in the visible range. Here we measure in situ optical…

Accurate monitoring of lithium-ion battery (LIB) degradation is essential, yet it remains challenging due to the complex, nonlinear, and time-varying nature of electrochemical aging processes. Conventional equivalent circuit models (ECMs)…

Systems and Control · Electrical Eng. & Systems 2026-05-05 Khalid Mahmud Labib , Saad Waheed , Bakhtiar Nafis , Shabbir Ahmed

With the importance of Li-ion and emerging alternative batteries to our electric future, predicting new sustainable materials, electrolytes and complete cells that safely provide high performance, long life, energy dense capability is…

Materials Science · Physics 2022-07-26 Alex Grant , Colm O'Dwyer

To study the electrochemical reaction on surfaces, phase interfaces, and crack surfaces in the lithium ion battery electrode particles, a phase-field model is developed, which describes fracture in large strains and anisotropic…

Materials Science · Physics 2016-05-31 Ying Zhao , Bai-Xiang Xu , Peter Stein , Dietmar Gross

In this study, we present a well-defined methodology for conducting Operando X-ray absorption near-edge structure spectroscopy (XANES) in conjunction with transmission X-ray nano computed tomography (TXM-nanoCT) experiments on the…

Graphite is the most widely used and among the most widely-studied anode materials for lithium-ion batteries. With increasing demands on lithium batteries to operate at lower temperatures and higher currents, it is crucial to understand…

Materials Science · Physics 2019-01-18 Vikram Pande , Venkatasubramanian Viswanathan

This work presents an ab initio exploration of fundamental mechanisms with direct relevance to dendrite formation at lithium-electrolyte interfaces. Specifically, we explore surface diffusion barriers and solvated surface energies of…

Materials Science · Physics 2015-04-23 Yalcin Ozhabes , Deniz Gunceler , T. A. Arias

In the present study we investigate the irradiation-defects hybridized graphene scaffold as one potential building material for the anode of Li-ion batteries. Designating the Wigner V22 defect as a representative, we illustrate the…

Materials Science · Physics 2015-03-10 J. Song , B. Ouyang , N. V. Medhekar

The unified 3D phase-field model for the description of the lithium-ion cell as a whole is developed. The model takes into account the realistic distribution of particles in porous electrodes, percolative transport of ions, and the…

Disordered Systems and Neural Networks · Physics 2021-05-11 Pavel E. L'vov , Mikhail Yu. Tikhonchev , Renat T. Sibatov

This study examines the distribution and evolution of lithium in both anode and cathode materials of commercial lithium-ion coin cells subjected to high C-rate cycling, providing insights into the mechanisms of lithium loss, trapping, and…