[HTML][HTML] Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries

A Wang, S Kadam, H Li, S Shi, Y Qi - NPJ Computational materials, 2018 - nature.com
A passivation layer called the solid electrolyte interphase (SEI) is formed on electrode
surfaces from decomposition products of electrolytes. The SEI allows Li+ transport and …

Research Progress on Coating Structure of Silicon Anode Materials for Lithium‐Ion Batteries

K Xu, X Liu, K Guan, Y Yu, W Lei, S Zhang… - …, 2021 - Wiley Online Library
Silicon, which has been widely studied by virtue of its extremely high theoretical capacity
and abundance, is recognized as one of the most promising anode materials for the next …

ReaxFF Reactive Force-Field Study of Molybdenum Disulfide (MoS2)

A Ostadhossein, A Rahnamoun, Y Wang… - The journal of …, 2017 - ACS Publications
Two-dimensional layers of molybdenum disulfide, MoS2, have been recognized as
promising materials for nanoelectronics due to their exceptional electronic and optical …

Decoding Electrochemical Processes of Lithium‐Ion Batteries by Classical Molecular Dynamics Simulations

X Tan, M Chen, J Zhang, S Li, H Zhang… - Advanced Energy …, 2024 - Wiley Online Library
Lithium‐ion batteries (LIBs) have played an essential role in the energy storage industry and
dominated the power sources for consumer electronics and electric vehicles. Understanding …

eReaxFF: a pseudoclassical treatment of explicit electrons within reactive force field simulations

MM Islam, G Kolesov, T Verstraelen… - Journal of chemical …, 2016 - ACS Publications
We present a computational tool, eReaxFF, for simulating explicit electrons within the
framework of the standard ReaxFF reactive force field method. We treat electrons explicitly in …

Two-dimensional porous silicon nanosheets as anode materials for high performance lithium-ion batteries

J Tang, Q Yin, Q Wang, Q Li, H Wang, Z Xu, H Yao… - Nanoscale, 2019 - pubs.rsc.org
In this paper, silicon nanosheets (Si-NSs) are chemically synthesized by using graphene
oxide nanosheets as the template. The obtained Si-NSs, which are aggregations of silicon …

Achieving high-performance silicon anodes of lithium-ion batteries via atomic and molecular layer deposited surface coatings: an overview

C Zhu, K Han, D Geng, H Ye, X Meng - Electrochimica Acta, 2017 - Elsevier
Rechargeable secondary batteries (RSBs) have been practiced successfully for over one
hundred years and now lithium-ion batteries (LIBs) represent the best-commercialized …

[HTML][HTML] Mechanical properties and damage analysis of S-glass: A reactive molecular dynamics study

J Yeon, SC Chowdhury, JW Gillespie Jr - Composites Part B: Engineering, 2022 - Elsevier
Glass fibers are widely used as reinforcements in composites for applications ranging from
lightweight and damage tolerant structures to protective materials providing high levels of …

Criticality of solid electrolyte interphase in achieving high performance of sodium-ion batteries

Q Cheng, Q Deng, W Zhong, T Tan, X Liu… - Chemical Engineering …, 2023 - Elsevier
Sodium-ion batteries (SIBs) have shown tremendous application prospects for large-scale
energy storage system in recent years due to the abundant natural sodium resources …

[HTML][HTML] An overview on transport phenomena within solid electrolyte interphase and their impact on the performance and durability of lithium-ion batteries

R Cappabianca, P De Angelis, M Fasano, E Chiavazzo… - Energies, 2023 - mdpi.com
The nature of the electrode–electrolyte interface has an impact on the performance and
durability of lithium-ion batteries (LIBs). The initial electrolyte's thermodynamic instability at …