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An in situ study of deformation, fracture, and fatigue behavior of silicon as a lithium-ion battery electrode material is presented. Thin films (100-200 nm) of silicon are cycled in a half-cell configuration with lithium metal foil as…

We investigate the pressure-temperature ($p$-$T$) phase diagram of elemental lithium (Li) up to multiterapascal (TPa) pressures using ab-initio random structure search (AIRSS) and density functional theory (DFT). At zero temperature, beyond…

Materials Science · Physics 2024-03-21 Jack Whaley-Baldwin , Miguel Martinez-Canales , Chris J. Pickard

Lithium fluorinated carbon is one of the most promising chemistries for high-energy-density primary energy storage systems in applications where rechargeability is not required. Though Li/CFx demonstrates high energy density under ambient…

We present theoretical and experimental studies of superconductivity and low temperature structural phase boundaries in lithium. We mapped the structural phase diagram of 6Li and 7Li under hydrostatic conditions between 5 top 55GPa and…

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

In this work, we demonstrate that an impugn of energy density for sodium chemistries can be prevail through an anode-free architecture enabled by the use of a (nanocarbon/Cobaltoxide) nucleation layer formed on Aluminium current collectors.…

Chemical Physics · Physics 2018-11-21 Saurav L Chaudhari , Ketan P Pise

Higher energy density and longer lifetime are the requirements for next-generation lithium-ion batteries. A promising anode material is silicon, which offers high specific capacity, but its significant volume change during lithiation and…

Solid-state electrolytes, by enabling lithium metal anodes, may significantly increase the energy density of current lithium-ion batteries. However, similar to their liquid counterparts, these hard and stiff electrolytes can still be…

Chemical Physics · Physics 2024-10-04 Rajeev Gopal , Longan Wu , Youngju Lee , Jinzhao Guo , Peng Bai

Lithium fluoride (LiF) is a critical component for stabilizing lithium metal anode and high-voltage cathodes towards the next-generation high-energy-density lithium batteries. Recent modeling study reported the formation of wurtzite LiF…

Materials Science · Physics 2025-04-21 Boyuan Xu , Liyi Bai , Shenzhen Xu , Qisheng Wu

Adding porosity to battery electrodes is believed to be universally useful for adding space to accommodate volumetric expansion, electrolyte access to all active materials, helping to mitigate poor C-rate performance for thicker electrodes…

Applied Physics · Physics 2020-08-26 Sally O'Hanlon , David McNulty , Ruiyuan Tian , Jonathan Coleman , Colm O'Dwyer

Controlling nanostructure from molecular, crystal lattice to the electrode level remains as arts in practice, where nucleation and growth of the crystals still require more fundamental understanding and precise control to shape the…

In lithium ion batteries, Li+ intercalation and processes associated with passivation of electrodes are governed by applied voltages, which are in turn associated with free energy changes of Li+ transfer (Delta G_t) between the solid and…

Materials Science · Physics 2013-12-11 Kevin Leung , Craig M. Tenney

A safe lithium-sulfur (Li-S) battery employs a composite polymer electrolyte based on a poly(ethylene glycol) dimethyl ether (PEGDME) solid at room temperature. The electrolyte membrane enables a stable and reversible Li-S electrochemical…

Applied Physics · Physics 2021-10-27 Vittorio Marangon , Daniele Di Lecce , Luca Minnetti , Jusef Hassoun

Cathode particle fracture is widely recognised as a major degradation mechanism in lithium-ion batteries, yet cracking also permits electrolyte wetting of newly exposed internal surfaces, modifying interfacial reaction pathways. The…

Computational Engineering, Finance, and Science · Computer Science 2026-05-05 S. Luza-Vega , Y. Zhao , E. Martínez-Pañeda

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

This paper explores the mechanical behaviour of the composite materials used in modern lithium-ion battery electrodes. These contain relatively high modulus active particle inclusions within a two-component matrix of liquid electrolyte…

Computational Physics · Physics 2024-10-16 J. M. Foster , A. F. Galvis , B. Protas , S. J. Chapman

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

As an anode material for lithium-ion batteries, amorphous silicon offers a significantly higher energy density than the graphite anodes currently used. Alloying reactions of lithium and silicon, however, induce large deformation and lead to…

Numerical Analysis · Mathematics 2024-08-07 Raphael Schoof , Johannes Niermann , Alexander Dyck , Thomas Böhlke , Willy Dörfler

This is the first quantitative analysis of mechanical reliability of all-solid state batteries. Mechanical degradation of the solid electrolyte (SE) is caused by intercalation-induced expansion of the electrode particles, within the…

Materials Science · Physics 2017-03-16 Giovanna Bucci , Tushar Swamy , Yet-Ming Chiang , W. Craig Carter

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