Li-growth and SEI engineering for anode-free Li-metal rechargeable batteries: A review of current advances

B Wu, C Chen, LHJ Raijmakers, J Liu, DL Danilov… - Energy Storage …, 2023 - Elsevier
Li-metal battery systems are attractive for next-generation high-energy batteries due to their
high theoretical specific capacity and Li-metal's low redox potential. Anode-free Li-metal …

Frontiers in theoretical analysis of solid electrolyte interphase formation mechanism

N Takenaka, A Bouibes, Y Yamada… - Advanced …, 2021 - Wiley Online Library
Solid electrolyte interphase (SEI) is an ion conductive yet electron‐insulating layer on
battery electrodes, which is formed by the reductive decomposition of electrolytes during the …

The computational molecular technology for complex reaction systems: The Red Moon approach

M Nagaoka - Wiley Interdisciplinary Reviews: Computational …, 2024 - Wiley Online Library
For dealing with complex reaction (CR) systems that show typical chemical phenomena in
molecular aggregation states, the Red Moon (RM) approach is introduced based on a new …

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 …

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 …

Concentration effect of fluoroethylene carbonate on the formation of solid electrolyte interphase layer in sodium-ion batteries

A Bouibes, N Takenaka, T Fujie, K Kubota… - … applied materials & …, 2018 - ACS Publications
Fluoroethylene carbonate (FEC) is an effective additive to improve the performance of Na-
ion batteries (NIB). A recent experimental study has shown that a small amount of FEC …

A computational chemical insight into microscopic additive effect on solid electrolyte interphase film formation in sodium-ion batteries: Suppression of unstable film …

N Takenaka, H Sakai, Y Suzuki, P Uppula… - The Journal of …, 2015 - ACS Publications
Sodium (Na)-ion batteries (NIB) have recently attracted special attention as a substitute for Li-
ion batteries due to the increase in the cost of Li. The performance of NIB with liquid …

Molecular Modeling of Stabilization during Processing of Polyacrylonitrile-Based Carbon Fibers

S Yao, C Li, M Jackson, A Strachan - Macromolecules, 2024 - ACS Publications
The chemical process of stabilization is a critical step in the fabrication of polyacrylonitrile
(PAN)-based carbon fibers; it transforms the spun polymer precursor into a thermally stable …

Correlating Solid Electrolyte Interphase Composition with Dendrite‐Free and Long Life‐Span Lithium Metal Batteries via Advanced Characterizations and Simulations

L Song, D Ning, Y Chai, M Ma, G Zhang… - Small …, 2023 - Wiley Online Library
Lithium metal anode attracts great attention because of its high specific capacity and low
redox potential. However, the uncontrolled dendrite growth and its infinite volume expansion …

Development of advanced electrolytes in Na-ion batteries: application of the Red Moon method for molecular structure design of the SEI layer

A Bouibes, N Takenaka, K Kubota, S Komaba… - RSC …, 2022 - pubs.rsc.org
This review aims to overview state-of-the-art progress in the collaborative work between
theoretical and experimental scientists to develop advanced electrolytes for Na-ion batteries …