Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries

N Yao, X Chen, ZH Fu, Q Zhang - Chemical Reviews, 2022 - ACS Publications
Rechargeable batteries have become indispensable implements in our daily life and are
considered a promising technology to construct sustainable energy systems in the future …

A review on machine learning algorithms for the ionic liquid chemical space

S Koutsoukos, F Philippi, F Malaret, T Welton - Chemical science, 2021 - pubs.rsc.org
There are thousands of papers published every year investigating the properties and
possible applications of ionic liquids. Industrial use of these exceptional fluids requires …

Stretchable graphene–hydrogel interfaces for wearable and implantable bioelectronics

Y Lu, G Yang, S Wang, Y Zhang, Y Jian, L He, T Yu… - Nature …, 2024 - nature.com
Soft, stretchable and biocompatible conductors are required for on-skin and implantable
electronics. Laser-induced graphene (LIG) can offer tuneable physical and chemical …

[HTML][HTML] Suspension electrolyte with modified Li+ solvation environment for lithium metal batteries

MS Kim, Z Zhang, PE Rudnicki, Z Yu, J Wang… - Nature Materials, 2022 - nature.com
Designing a stable solid–electrolyte interphase on a Li anode is imperative to developing
reliable Li metal batteries. Herein, we report a suspension electrolyte design that modifies …

Coordinating anions “to the rescue” of the lithium ion mobility in ternary solid polymer electrolytes plasticized with ionic liquids

JP Hoffknecht, A Wettstein, J Atik… - Advanced Energy …, 2023 - Wiley Online Library
Lithium salts with low coordinating anions such as bis (trifluoromethanesulfonyl) imide
(TFSI) have been the state‐of‐the‐art for polyethylene oxide (PEO)‐based “dry” polymer …

Enabling Ultralow‐Temperature (− 70° C) Lithium‐Ion Batteries: Advanced Electrolytes Utilizing Weak‐Solvation and Low‐Viscosity Nitrile Cosolvent

L Luo, K Chen, H Chen, H Li, R Cao, X Feng… - Advanced …, 2024 - Wiley Online Library
Low‐temperature performance of lithium‐ion batteries (LIBs) has always posed a significant
challenge, limiting their wide application in cold environments. In this work, the high …

Inhibiting gas generation to achieve ultralong-lifespan lithium-ion batteries at low temperatures

Z Li, N Yao, L Yu, YX Yao, CB Jin, Y Yang, Y Xiao… - Matter, 2023 - cell.com
The notorious low-temperature sensitivity of contemporary lithium-ion batteries (LIBs) has
long restricted their low-temperature applications. Introduction of high-content low-freezing …

Molecular-docking electrolytes enable high-voltage lithium battery chemistries

B Ma, H Zhang, R Li, S Zhang, L Chen, T Zhou… - Nature Chemistry, 2024 - nature.com
Ideal rechargeable lithium battery electrolytes should promote the Faradaic reaction near
the electrode surface while mitigating undesired side reactions. Yet, conventional …

Confined ionic‐liquid‐mediated cation diffusion through layered membranes for high‐performance osmotic energy conversion

Y Hu, H Xiao, L Fu, P Liu, Y Wu, W Chen… - Advanced …, 2023 - Wiley Online Library
Ion‐selective membranes act as the core components in osmotic energy harvesting, but
remain with deficiencies such as low ion selectivity and a tendency to swell. 2D nanofluidic …

OPLS force field for choline chloride-based deep eutectic solvents

B Doherty, O Acevedo - The Journal of Physical Chemistry B, 2018 - ACS Publications
Deep eutectic solvents (DES) are a class of solvents frequently composed of choline
chloride and a neutral hydrogen bond donor (HBD) at ratios of 1: 1, 1: 2, or 1: 3, respectively …