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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

Interfaces are ubiquitous in Li-ion battery electrodes, occurring across compositional gradients, regions of multiphase intergrowths, and between electrodes and solid electrolyte interphases or protective coatings. However, the impact of…

Materials Science · Physics 2017-04-05 Shenzhen Xu , Ryan Jacobs , Chris Wolverton , Thomas Kuech , Dane Morgan

Li-ion batteries (LIBs) are the most widely used form of energy storage in mobile electronic devices and electric vehicles. Li-ion battery cathodes with the composition LiNixMnyCozO2 (NCMs) currently display some of the most promising…

Applied Physics · Physics 2023-09-15 Liga Britala , Mario Marinaro , Gints Kucinskis

Li$_xTM$O$_2$ (TM={Ni, Co, Mn}) are promising cathodes for Li-ion batteries, whose electrochemical cycling performance is strongly governed by crystal structure and phase stability as a function of Li content at the atomistic scale. Here,…

Crack growth in lithium-ion battery electrodes is typically detrimental and undesirable. However, recent experiments suggest that stabilized fracture of cathode active materials in liquid electrolytes can increase electrochemically active…

Understanding (de)lithiation heterogeneities in battery materials is key to ensuring optimal electrochemical performance and developing better energy storage devices. However, this remains challenging due to the complex three dimensional…

Charge lost per unit surface area of a silicon electrode due to the formation of solid-electrolyte-interphase (SEI) layer during initial lithiation was quantified, and the species that constitute this layer were identified. Coin cells made…

Energy density limitations of layered oxides with different Ni contents, i.e., of the conventional cathode materials in Li-ion batteries, are investigated across the first discharge cycle using advanced spectroscopy and state-of-the-art…

Enabling lithium (Li)-ion batteries with higher energy densities, longer cycle life, and lower costs will underpin the widespread electrification of the transportation and large-scale energy storage industries. Nickel (Ni)-rich layered…

We report on the origin of the surface structural disordering in graphite anodes induced by lithium intercalation and deintercalation processes. Average Raman spectra of graphitic anodes reveal that cycling at potentials that correspond to…

Materials Science · Physics 2011-08-04 Vijay A. Sethuraman , Laurence J. Hardwick , Venkat Srinivasan , Robert Kostecki

Use of lithium as a surface coating in fusion devices improves plasma performance, but the change in wall properties affects the secondary electron emission properties of the material. Lithium oxidizes easily, which drives the emission…

Plasma Physics · Physics 2025-05-23 Kolter Bradshaw , Ammar Hakim , Bhuvana Srinivasan

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

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

LiFePO4-based cathodes suffer from various degradation mechanisms which influences the battery performance. In this paper morphological and structural degradation phenomena in laboratory cathodes made of LiFePO4 (LFP) mixed with carbon…

It is widely believed that the origin of a significant cause for the voltage and capacity fading observed in lithium (Li)-ion batteries is related to structural modifications occurring in the cathode material during the Li-ion…

Understanding solid liquid interfaces at high spatial and chemical resolution is crucial for advancing electrochemical energy storage technologies, yet this remains a persistent challenge due to the lack of characterisation techniques that…

Developing high-energy-density batteries is essential for advancing sustainable energy technologies. However, leading cathode materials such as Li-rich oxides, including Li$_2$MnO$_3$, suffer from capacity loss due to irreversible oxygen…

Materials Science · Physics 2025-10-29 Changming Ke , Yudi Yang , Minjun Wang , Jianhui Wang , Shi Liu

Lithium-ion batteries exhibit complex nonlinear dynamics, resulting from diffusion and phase transformations coupled to ion intercalation reactions. Using the recently developed Cahn-Hilliard reaction (CHR) theory, we investigate a simple…

Chemical Physics · Physics 2014-02-13 Yi Zeng , Martin Z. Bazant

Upon insertion and extraction of lithium, materials important for electrochemical energy storage can undergo changes in thermal conductivity (${\Lambda}$) and elastic modulus ($\it M$). These changes are attributed to evolution of the…

Applied Physics · Physics 2022-01-10 Jungwoo Shin , Sanghyeon Kim , Hoonkee Park , Ho Won Jang , David G. Cahill , Paul V. Braun

Recent years have seen a rapidly escalating demand for battery technologies capable of storing more energy, charging more quickly and having longer usable lifetimes, driven largely by increased electrification of transport and by grid-scale…