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Cycle life is critically important in applications of rechargeable batteries, but lifetime prediction is mostly based on empirical trends, rather than mathematical models. In practical lithium-ion batteries, capacity fade occurs over…

Chemical Physics · Physics 2012-11-27 Matthew B. Pinson , Martin Z. Bazant

Recently, considerable efforts have been made on research and improvement for Ni-rich lithium-ion batteries to meet the demand from vehicles and grid-level large-scale energy storage. Development of next-generation high-performance…

Creating non-equilibrium states of matter with highly unequal electron and lattice temperatures allows unsurpassed insight into the dynamic coupling between electrons and ions through time-resolved energy relaxation measurements. Recent…

To explore the potential of molecular gas treatment of freshly cut lithium foils in non-electrolyte based passivation of high energy-density Li anodes, density functional theory (DFT) has been used to study the decomposition of molecular…

Materials Science · Physics 2015-06-01 Stephan L. Koch , Benjamin J. Morgan , Stefano Passerini , Gilberto Teobaldi

The properties of rechargeable lithium-ion batteries are determined by the electrochemical and kinetic properties of their constituent materials as well as by their underlying microstructure. Microstructural design can be leveraged to…

Materials Science · Physics 2022-03-11 Giovanna Bucci , Tushar Swamy , W. Craig Carter , Morad Behandish

Parameterisation of coupled degradation mechanisms in lithium-ion batteries is a major challenge. Interactions between the mechanisms depend on usage conditions: C-rate, rest state-of-charge (SoC), depth-of-discharge (DoD) and temperature.…

Materials Science · Physics 2026-04-13 Ganesh Madabattula

Many intercalation compounds possess layered structures or inter-penetrating lattices that enable phase separation into three or more stable phases, or "stages," driven by competing intra-layer and inter-layer forces. While these structures…

Chemical Physics · Physics 2017-06-27 Raymond B. Smith , Edwin Khoo , Martin Z. Bazant

Semiconductor detectors in general have a dead layer at their surfaces that is either a result of natural or induced passivation, or is formed during the process of making a contact. Charged particles passing through this region produce…

The mechanisms of lithium electrodeposition, which overwhelmingly affect lithium metal battery performance and safety, remain insufficiently understood due to its electrochemical complexity. Novel, non-destructive and in situ techniques to…

Applied Physics · Physics 2023-07-19 Runqing Yang , Harrison Szeto , Brandon Zou , Emily Spitaleri , Bolin Liao , Yangying Zhu

With the importance of Li-ion and emerging alternative batteries to our electric future, predicting new sustainable materials, electrolytes and complete cells that safely provide high performance, long life, energy dense capability is…

Materials Science · Physics 2022-07-26 Alex Grant , Colm O'Dwyer

Key to advancing lithium-ion battery technology, and in particular fast charging capabilities, is our ability to follow and understand the dynamic processes occurring in operating materials under realistic conditions, in real time, and on…

Materials Science · Physics 2021-06-28 Alice J. Merryweather , Christoph Schnedermann , Quentin Jacquet , Clare P. Grey , Akshay Rao

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

Passivating lithium ion battery electrode surfaces to prevent electrolyte decomposition is critical for battery operations. Recent work on conformal atomic layer deposition (ALD) coating of anodes and cathodes has shown significant…

Intrinsic layered structure of graphite is the source of ongoing and expanding search of ways of obtaining low-cost and promising graphite thin layers. We report on a novel method of obtaining and separating rubbed graphite sheets by using…

Materials Science · Physics 2015-06-23 Manuel R. Mailian , Aram R. Mailian

Existence of van der Waals gaps renders two-dimensional (2D) materials ideal passages of lithium for being used as anode materials. However, the requirement of good conductivity significantly limits the choice of 2D candidates. So far only…

Materials Science · Physics 2022-06-13 Zheng Shu , Xiangyue Cui , Bowen Wang , Hejin Yan , Yongqing Cai

Accurate battery lifetime prediction is important for preventative maintenance, warranties, and improved cell design and manufacturing. However, manufacturing variability and usage-dependent degradation make life prediction challenging.…

Machine Learning · Computer Science 2024-04-23 Tingkai Li , Zihao Zhou , Adam Thelen , David Howey , Chao Hu

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

Solid mixed conductors with significant ionic as well as electronic conduction play a pivotal role for mass transfer and storage as required in battery electrodes. Single-phase materials with simultaneously high electronic and ionic…

Mesoscale and Nanoscale Physics · Physics 2017-09-11 M. Kühne , F. Paolucci , J. Popovic , P. M. Ostrovsky , J. Maier , J. H. Smet

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…

We present a simulation workflow for efficient investigations of the interplay between 3D lithium-ion electrode microstructures and electrochemical performance, with emphasis on lithium plating. Our approach addresses several challenges.…