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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…

Fundamental understanding of the reactivity between coating material of Li-ion battery cathode and electrolyte is important in order to obtain suitable coating candidates. Herein, we study ethylene carbonate (EC) adsorption and…

Effective passivation of lithium metal surfaces, and prevention of battery-shorting lithium dendrite growth, are critical for implementing lithium-metal-anodes for batteries with increased power densities. Nanoscale surface heterogeneities…

Materials Science · Physics 2017-10-03 Kevin Leung , Katherine L. Jungjohann

Through its capability for 3D mapping of Li at the nanoscale, atom probe tomography (APT) is poised to play a key role in understanding the microstructural degradation of lithium-ion batteries (LIB) during successive charge and discharge…

Materials Science · Physics 2023-09-15 Mahander P Singh , Eric V Woods , Se Ho Kim , Chanwon Jung , Leonardo S. Aota , Baptiste Gault

Next generation batteries based on lithium (Li) metal anodes have been plagued by the dendritic electrodeposition of Li metal on the anode during cycling, resulting in short circuit and capacity loss. Suppression of dendritic growth through…

The worldwide developments of electric vehicles, as well as large-scale or grid-scale energy storage to compensate the intermittent nature of renewable energy generation has generated a surge of interest in battery technology. Understanding…

Atomic interface engineering (AIE) is critical for advancing technologies in energy storage, catalysis, and microelectronics. In anode-less lithium metal batteries (ALLMBs), AIE is essential for controlling interfacial chemistry governing…

Understanding battery degradation in electric vehicles (EVs) under real-world conditions remains a critical yet under-explored area of research. Central to this investigation is the challenge of estimating the specific degradation modes in…

Optimization and Control · Mathematics 2024-05-20 Raja Abhishek Appana , Faissal El Idrissi , Prashanth Ramesh , Marcello Canova , Chun Yong Kang , Kimoon Um

Silicon is a promising anode material for next-generation lithium-ion batteries due to its exceptionally high specific capacity (3600 mAh g$^{-1}$), significantly exceeding that of conventional graphite. However, its practical application…

Chemical Physics · Physics 2026-01-08 D Sugunan , Y Jiang , J Guo , H Wang , M Marinescu , G Offer

Modelling electrolytes accurately on both a nanoscale and cell level can contribute to improving battery chemistries.[Armand and Tarascon, Nature, 2008, 451, 652-657] We previously presented a thermodynamic continuum model for…

Chemical Physics · Physics 2024-08-09 Constantin Schwetlick , Max Schammer , Arnulf Latz , Birger Horstmann

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

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

The development of advanced electrochemical devices for energy conversion and storage requires fine tuning of electrode reactions, which can be accomplished by altering the electrode/solution interface structure. Particularly, in case of an…

Soft Condensed Matter · Physics 2020-07-02 Yu. A. Budkov , A. V. Sergeev , S. V. Zavarzin , A. L. Kolesnikov

This study investigates the use of Atomic Layer deposition (ALD) to mitigate multipacting phenomena inside superconducting radio frequency (SRF) cavities used in particle accelerators. The unique ALD capability to control the film thickness…

Oxidative decomposition of organic-solvent-based liquid electrolytes at cathode material interfaces has been identified as a main reason for rapid capacity fade in high-voltage lithium ion batteries. The evolution of "cathode electrolyte…

Materials Science · Physics 2020-03-10 Kevin Leung , Rosy , Malachi Noked

The improvement of Li-ion battery performance requires development of models that capture the essential physics and chemistry in Li-ion battery electrode materials. In this paper a novel electrochemical phase-field model is presented that…

In this paper for the first time we report the results of molecular dynamics simulation of electrode/electrolyte interface of Li-O2 cathode under potential close to experimental values in 1M dimethyl sulfoxide (DMSO) solution of LiPF6 salt.…

Chemical Physics · Physics 2017-01-10 Artem Sergeev , Alexander Chertovich , Daniil Itkis , Anik Sen , Axel Gross , Alexei Khokhlov

The electric double layer (EDL) that forms at the interface between metals and ionic solutions is at the heart of various energy technologies. Recent experimental data have challenged our traditional understanding of the EDL charging…

Statistical Mechanics · Physics 2026-03-05 Nils Bruch , Michael Eikerling , Tobias Binninger

The degradation mechanism in a sodium cell of a layered Na0.48Al0.03Co0.18Ni0.18Mn0.47O2 (NCAM) cathode with P3/P2 structure is investigated by revealing the changes in microstructure and composition upon cycling. The work aims to…

We introduce an adhesion parameter that enables rapid screening for materials interfaces with high adhesion. This parameter is obtained by density functional theory calculations of individual single-material slabs rather than slabs…