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A theoretical investigation of the effects of elastic coherency on the thermodynamics, kinetics, and morphology of intercalation in single LiFePO4 nanoparticles yields new insights into this important battery material. Anisotropic elastic…

Materials Science · Physics 2015-03-13 Daniel A. Cogswell , Martin Z. Bazant

Rechargeable lithium, sodium, and aluminum metal-based batteries are among the most versatile platform for high-energy, cost effective electrochemical energy storage. Non-uniform metal deposition and dendrite formation on the negative…

Materials Science · Physics 2015-01-27 Yingying Lu , Zhengyuan Tu , Lynden Archer

In nanoparticulate phase-separating electrodes, phase separation inside the particles can be hindered during their charge/discharge cycles even when a thermodynamic driving force for phase separation exists. In such cases, particles may…

Materials Science · Physics 2013-09-26 Bernardo Orvananos , Todd R. Ferguson , Hui-Chia Yu , Martin Z. Bazant , Katsuyo Thornton

A major challenge in the development of new battery materials is understanding their fundamental mechanisms of operation and degradation. Their microscopically inhomogeneous nature calls for characterization tools that provide operando and…

Using a new class of (BH4)- substituted argyrodite Li6PS5Z0.83(BH4)0.17, (Z = Cl, I) solid electrolyte, Li-metal solid-state batteries operating at room temperature have been developed. The cells were made by combining the modified…

Applied Physics · Physics 2020-09-14 Anh Ha Dao , Pedro López-Aranguren , Junxian Zhang , Fermín Cuevas , Michel Latroche

Wadsley--Roth crystallographic shear phases form a family of compounds that have attracted attention due to their excellent performance as lithium-ion battery electrodes. The complex crystallographic structure of these materials poses a…

Materials Science · Physics 2019-09-26 Can P. Koçer , Kent J. Griffith , Clare P. Grey , Andrew J. Morris

Liquid metal batteries (LMBs) are a promising alternative for large-scale stationary energy storage for renewable applications. Using high-abundance electrode materials such as Sodium and Zinc is highly desirable due to their low cost and…

Materials Science · Physics 2023-06-09 Omar E. Godinez-Brizuela , Carolina Duczek , Norbert Weber , Kristian E. Einarsrud

Inactive lithium (Li) formation is the immediate cause of capacity loss and catastrophic failure of Li metal batteries. However, the chemical component and the atomic level structure of inactive Li have rarely been studied due to the lack…

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

Lithium-ion batteries employing solid-state electrolytes (SSEs) are emerging as a safer and more compact alternative to conventional batteries using liquid electrolytes, especially for miniaturized energy storage systems. However, the…

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…

Lithium thiophosphate (LPS) is a promising solid electrolyte for next-generation lithium-ion batteries due to its superior energy storage, high ionic conductivity, and low-flammability components. Despite its potential, the high reactivity…

Materials Science · Physics 2025-09-23 Hanna Türk , Davide Tisi , Michele Ceriotti

An appropriate description of the lithiation/delithiation dynamics in bi-phasic primary cathode particles of Li-ion batteries requires an accurate treatment of the conditions holding at the interface between the particle and the surrounding…

Materials Science · Physics 2024-11-01 Ahmed Yousfi , Arnaud Demortière , Guillaume Boussinot

The rolling pad instability is caused by electromagnetic interactions in systems of horizontal layers with strongly different electric conductivities. We analyze the instability for a simplified model of a liquid metal battery (LMB), a…

Fluid Dynamics · Physics 2020-01-08 Linyan Xiang , Oleg Zikanov

Understanding microscopic properties of LiNiO$_2$, a Li-ion battery cathode material with extraordinarily high reversible capacity, has remained a challenge for decades. Based on extensive electronic structure calculations, which reveal a…

Materials Science · Physics 2021-04-20 Kateryna Foyevtsova , Ilya Elfimov , Joerg Rottler , George A. Sawatzky

This study investigates the electrochemical behavior and decomposition pathways of four monomers, namely PMC, PMC-OH, PeMC-OH, and DEO-EA, which are potential candidates for polymer electrolytes in solid-state batteries. Density functional…

Chemical Physics · Physics 2024-08-15 Kazem Zhour , Andreas Heuer , Diddo Diddens

Aqueous rechargeable batteries are promising energy storage devices for the high safety, environmental friendliness, and easy assembly. However, their cycle stability and low temperature performance are limited by the narrow electrochemical…

Chemical Physics · Physics 2022-06-17 Yuewang Yang , Sijing Liu , Zhaowen Bai , Baoling Huang

Lithium niobate-tantalate mixtures have garnered considerable interest for their ability to merge the desirable properties of both end members, enabling diverse high-value applications, such as high-performance faradaic capacitors,…

Materials Science · Physics 2025-09-22 Hengning Chen , Zeyu Deng , Gopalakrishnan Sai Gautam , Yan Li , Pieremanuele Canepa

Here we report fabrication of flexible and stretchable battery composed of strain free LiFePO4 cathode, Li4Ti5O10 anode and a solid poly ethylene oxide (PEO) electrolyte as a separator layer. The battery is developed in a view of smart…

Materials Science · Physics 2015-03-13 Yang Liu , Maksim Skorobogatiy

A deeper understanding of the cathode electrolyte interphase (CEI) formation mechanism is essential to elucidate battery degradation. Here, we combine Liquid Electrochemical Transmission Electron Microscopy (ec-TEM) with Gas…

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