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Lithium ion batteries (LIB) can feature reactive anodes that operate at low potentials, such as lithium metal or silicon, passivated by solid electrolyte interphase (SEI) films. SEI is known to evolve over time as cycling proceeds. In this…

Materials Science · Physics 2016-05-24 Kevin Leung , Fernando Soto , Kie Hankins , Perla B. Balbuena , Katharine L. Harrison

Using cryogenic transmission electron microscopy, we revealed three dimensional (3D) structural details of the electrochemically plated lithium (Li) flakes and their solid electrolyte interphase (SEI), including the composite SEI skin-layer…

The solid-electrolyte interphase (SEI) substantially influences the lifetime of lithium-ion batteries. Nevertheless, the transport mechanism responsible for the long-term growth of the SEI remains controversial. This study aims at…

Chemical Physics · Physics 2023-11-09 Lukas Köbbing , Arnulf Latz , Birger Horstmann

High-energy-density lithium metal batteries require electrolytes that enable fast ion transport and form a stable solid-electrolyte interphase (SEI) to sustain high-rate cycling, a process that remains challenging to capture experimentally.…

Materials Science · Physics 2026-02-06 Syed Mustafa Shah , Mohammed Lemaalem , Anh T. Ngo

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

Atomistic computer simulations are applied to investigate the atomic structure, thermal stability, and diffusion processes in Al-Si interphase boundaries as a prototype of metal-ceramic interfaces in composite materials. Some of the most…

Materials Science · Physics 2023-08-24 Ian Chesser , Raj Koju , Akshay Vellore , Yuri Mishin

In today's modeling and analysis of electrochemical cycling of Li- and Na-ion batteries, an assumption is often made regarding the interphase that forms between the active material and liquid electrolyte at low potentials, the so-called…

Materials Science · Physics 2017-05-22 Michael Hess

Mathematical models of capacity fade can reduce the time and cost of lithium-ion battery development and deployment, and growth of the solid-electrolyte interphase (SEI) is a major source of capacity fade. Experiments in Part I reveal…

Chemical Physics · Physics 2019-03-05 Supratim Das , Peter M. Attia , William C. Chueh , Martin Z. Bazant

Accurate identification of chemical phases associated with the electrode and solid electrolyte interphase (SEI) is critical for understanding and controlling interfacial degradation mechanisms in lithium containing battery systems. To study…

Materials Science · Physics 2018-09-19 Kevin N. Wood , Glenn Teeter

Detailed understanding of solid-solid interface structure-function relations is critical for the improvement and wide deployment of all solid-state batteries. The interfaces between lithium phosphorous oxynitride ("LiPON") solid electrolyte…

Further technological advancement of both lithium-ion and emerging battery technologies can be catalyzed by an improved understanding of the chemistry and working mechanisms of the solid electrolyte interphases (SEIs) that form at…

Despite decades of study, the identity of the dominant \ce{Li+}-conducting phase within the inorganic SEI of Li-ion batteries remains unresolved. While the mosaic model describes LiF/\ce{Li2O}/\ce{Li2CO3} nanocrystallites within a…

Materials Science · Physics 2025-12-16 Peichen Zhong , Kristin A. Persson

Continued growth of the solid electrolyte interphase (SEI) is the major reason for capacity fade in modern lithium-ion batteries. This growth is made possible by a yet unidentified transport mechanism that limits the passivating ability of…

Chemical Physics · Physics 2018-12-12 Fabian Single , Arnulf Latz , Birger Horstmann

Li+ transport within a solid electrolyte interphase (SEI) in lithium ion batteries has challenged molecular dynamics (MD) studies due to limited compositional control of that layer. In recent years, experiments and ab initio simulations…

Chemical Physics · Physics 2018-01-29 Ajay Muralidharan , Mangesh I. Chaudhari , Lawrence R. Pratt , Susan B. Rempe

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…

The decomposition of ethylene carbonate (EC) during the initial growth of solid-electrolyte interphase (SEI) films at the solvent-graphitic anode interface is critical to lithium ion battery operations. Ab initio molecular dynamics…

Materials Science · Physics 2017-04-05 Kevin Leung , Joanne Budzien

Accurately predicting aging of lithium-ion batteries would help to prolong their lifespan, but remains a challenge owing to the complexity and interrelation of different aging mechanisms. As a result, aging prediction often relies on…

The solvation environments of Li$^+$ in conventional non-aqueous battery electrolytes, such as LiPF$_6$ in mixtures of ethylene carbaronate (EC) and ethyl methyl carbonate (EMC), are often used to rationalize the transport properties of…

Statistical Mechanics · Physics 2026-05-20 Zachary A. H. Goodwin , Daniel M. Markiewitz , Qisheng Wu , Yue Qi , Martin Z. Bazant

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…

Electropolymerization plays a critical role in the electrochemical systems. In this chapter, we address such role within the context of interplay between kinetics and energetics. The trains of chin radical reactions leads to the formation…

Chemical Physics · Physics 2019-04-18 Asghar Aryanfar , Agustin J. Colussi , Laleh M. Kasmaee , Michael R. Hoffmann