Species distribution during solid electrolyte interphase formation on lithium using MD/DFT-parameterized kinetic Monte Carlo simulations

M Gerasimov, FA Soto, J Wagner… - The Journal of …, 2023 - ACS Publications
Lithium metal batteries are one of the promising technologies for future energy storage. One
open challenge is the generation of a stable and well performing Solid Electrolyte …

Lessons Learned from Semiempirical Methods for the Li-Ion Battery Solid Electrolyte Interphase

M Bin Jassar, C Michel, S Abada… - The Journal of …, 2024 - ACS Publications
Studying the chemical reactivity related to the solid electrolyte interphase (SEI) in lithium-ion
batteries is challenging due to system heterogeneity (spatial and compositional) …

Knowledge-driven design of solid-electrolyte interphases on lithium metal via multiscale modelling

J Wagner-Henke, D Kuai, M Gerasimov, F Röder… - Nature …, 2023 - nature.com
Due to its high energy density, lithium metal is a promising electrode for future energy
storage. However, its practical capacity, cyclability and safety heavily depend on controlling …

A Perspective on the Molecular Modeling of Electrolyte Decomposition Reactions for Solid Electrolyte Interphase Growth in Lithium‐Ion Batteries

M Bin Jassar, C Michel, S Abada… - Advanced Functional …, 2024 - Wiley Online Library
The solid electrolyte interphase (SEI) is a thin heterogeneous layer formed at the
anode/electrolyte interface in lithium‐ion batteries as a consequence of the reduction of the …

A Solution‐Mediated Pathway for the Growth of the Solid Electrolyte Interphase in Lithium‐Ion Batteries

M Esmaeilpour, S Jana, H Li… - Advanced Energy …, 2023 - Wiley Online Library
Lithium‐ion batteries (LIBs) are a widely used battery technology. During the initial LIB cycle,
a passivation layer, called the solid electrolyte interphase (SEI), forms on the anode surface …

On electrolyte-dependent formation of solid electrolyte interphase film in lithium-ion batteries: strong sensitivity to small structural difference of electrolyte molecules

N Takenaka, Y Suzuki, H Sakai… - The Journal of Physical …, 2014 - ACS Publications
The performance increase of the lithium-ion battery (LIB) is critical for effectively leveling the
cyclic nature of renewable energy sources related to the global warming. The current LIB …

The electrochemical mechanisms of solid–electrolyte interphase formation in lithium-based batteries

MA Gialampouki, J Hashemi… - The Journal of Physical …, 2019 - ACS Publications
In lithium-based batteries, the solid–electrolyte interphase (SEI) is a layer of material that
forms between the negative electrode and the liquid electrolyte; it is produced …

Solvent oligomerization pathways facilitated by electrolyte additives during solid-electrolyte interphase formation

LD Gibson, J Pfaendtner - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
The solid–electrolyte interphase (SEI) layer formation is known to play an important role in
determining the lifetime of lithium-ion batteries. A thin, stable SEI layer is linked to overall …

Unveiling the Role of Li+ Solvation Structures with Commercial Carbonates in the Formation of Solid Electrolyte Interphase for Lithium Metal Batteries

J He, H Wang, Q Zhou, S Qi, M Wu, F Li, W Hu… - Small …, 2021 - Wiley Online Library
Solid electrolyte interphase (SEI), determined by the components of electrolytes, can endow
batteries with the ability to repress the growth of Li dendrites. Nevertheless, the mechanism …

Toward a mechanistic model of solid–electrolyte interphase formation and evolution in lithium-ion batteries

EWC Spotte-Smith, RL Kam, D Barter, X Xie… - ACS Energy …, 2022 - ACS Publications
The formation of passivation films by interfacial reactions, though critical for applications
ranging from advanced alloys to electrochemical energy storage, is often poorly understood …