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Disorder-driven degradation phenomena, such as structural phase transformations and surface reconstructions, can significantly reduce the lifetime of Li-ion batteries, especially those with nickel-rich layered-oxide cathodes. We develop a…

Chemical Physics · Physics 2023-04-25 Debbie Zhuang , Martin Z. Bazant

Electrolyte gating is a powerful technique for accumulating large carrier densities in surface two-dimensional electron systems (2DES). Yet this approach suffers from significant sources of disorder: electrochemical reactions can damage or…

Lithium intercalation into graphite is the foundation for the lithium-ion battery, and the thermodynamics of the lithiation of graphitic electrodes have been heavily investigated. Intercalated lithium in bulk graphite undergoes structural…

Materials Science · Physics 2022-01-06 Joshua V. Pondick , Sajad Yazdani , Milad Yarali , Serrae N. Reed , David J. Hynek , Judy J. Cha

Polymer electrolytes are intensely investigated for use as solid electrolytes in next generation lithium-ion and lithium-metal batteries. However, little is known about the structural and dynamical properties of polymer electrolytes close…

Soft Condensed Matter · Physics 2021-12-02 Andreas Thum , Diddo Diddens , Andreas Heuer

With the rapid development of energy storage technology, high-performance solid-state electrolytes (SSEs) have become critical for next-generation lithium-ion batteries. These materials require high ionic conductivity, excellent…

Materials Science · Physics 2025-02-17 Hongwei Du , Jian Hui , Lanting Zhang , Hong Wang

The kinetic performance of graphite particles is difficult to deconvolute from half-cell experiments, where the influences of the working electrode porosity and the counter electrode contribute nonlinearly to the electrochemical re-sponse.…

Materials Science · Physics 2015-03-13 Michael Heß , Petr Novák

We study the linear stability of transient electrodeposition in a charged random porous medium, whose pore surface charges can be of any sign, flanked by a pair of planar metal electrodes. Discretization of the linear stability problem…

Chemical Physics · Physics 2019-07-09 Edwin Khoo , Hongbo Zhao , Martin Z. Bazant

Accurately predicting aging of lithium-ion batteries would help to prolong their lifespan, but remains a challenge owing to the complexity and interrelation of different aging mechanisms. As a result, aging prediction often relies on…

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

All-solid-state batteries hold great promise for electric vehicle applications due to their enhanced safety and higher energy density. However, further performance optimization requires a deeper understanding of their degradation…

Sodium-ion batteries exhibit significant promise as a viable alternative to current lithium-ion technologies owing to their sustainability, low cost per energy density, reliability, and safety. Despite recent advancements in cathode…

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

Soft metals like lithium and sodium play a critical role in battery technology owing to their high energy density. Texture formation by grain selection growth of soft metals during electrochemical processes is a crucial factor affecting…

All solid state batteries are claimed to be the next-generation battery system, in view of their safety accompanied by high energy densities. A new advanced, multiscale compatible, and fully three dimensional model for solid electrolytes is…

Applied Physics · Physics 2022-03-15 L. Cabras , D. Danilov , W. Subber , V. Oancea , A. Salvadori

It is now widely accepted that grain boundaries play a critical role in the performance and reliability of solid-state batteries with lithium metal anodes. Understanding and controlling grain boundaries is essential for enabling safe,…

Materials Science · Physics 2026-03-10 Md Salman Rabbi Limon , Abrar Fahim Navid , Curtis Wesley Duffee , Zeeshan Ahmad

The electrode-electrolyte interfaces play pivotal roles in alkali-metal batteries, necessitating superior electrochemical stability, excellent electrical insulation, and high ionic conductivity. This study proposes using zeolites as…

Materials Science · Physics 2025-02-14 Lina Wang , Guangfu Luo

Being motivated by recent synthesis of a monolayer of gold, named goldene, from the nano-laminated ternary ceramic phase of Ti3AuC2, we are proposing two phases of goldene viz. goldene-I and goldene-II as anode material for Lithium-Ion…

Materials Science · Physics 2026-04-17 Ajay Kumar , Pritam Samanta , Prakash Parida

Graphite, the standard commercial anode for Li-ion batteries, is thermodynamically incompatible with Na-ion batteries, leading researchers to search for alternative C-based structures (e.g., hard carbon, expanded graphite). In a simplified…

Materials Science · Physics 2026-05-15 Ihor Radchenko , Oleksandr I. Malyi

The rapid charging and/or discharging of electrochemical cells can lead to localized depletion of electrolyte concentration. This depletion can significantly impact the system's time dependent resistance. For systems with porous electrodes,…

Chemical Physics · Physics 2017-12-27 James W. Palko , Ali Hemmatifar , Juan G. Santiago

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