Transferability and accuracy of ionic liquid simulations with equivariant machine learning interatomic potentials

ZAH Goodwin, MB Wenny, JH Yang… - The Journal of …, 2024 - ACS Publications
Ionic liquids (ILs) are an exciting class of electrolytes finding applications in many areas from
energy storage to solvents, where they have been touted as “designer solvents” as they can …

Water in the Electrical Double Layer of Ionic Liquids on Graphene

Q Zheng, ZAH Goodwin, V Gopalakrishnan… - ACS …, 2023 - ACS Publications
The performance of electrochemical devices using ionic liquids (ILs) as electrolytes can be
impaired by water uptake. This work investigates the influence of water on the behavior of …

Electrolyte Design via Cation–Anion Association Regulation for High-Rate and Dendrite-Free Zinc Metal Batteries at Low Temperature

Z Zha, D Li, T Sun, Q Sun, J Hou, Z Tao… - Journal of the American …, 2024 - ACS Publications
Low-temperature zinc metal batteries (ZMBs) are highly challenged by Zn dendrite growth,
especially at high current density. Here, starting from the intermolecular insights, we report a …

Electric field induced associations in the double layer of salt-in-ionic-liquid electrolytes

DM Markiewitz, ZAH Goodwin, M McEldrew… - Faraday …, 2024 - pubs.rsc.org
Ionic liquids (ILs) are an extremely exciting class of electrolytes for energy storage
applications. Upon dissolving alkali metal salts, such as Li or Na based salts, with the same …

Long-Range Surface Forces in Salt-in-Ionic Liquids

X Zhang, ZAH Goodwin, AG Hoane, A Deptula… - ACS …, 2024 - ACS Publications
Ionic liquids (ILs) are a promising class of electrolytes with a unique combination of
properties, such as extremely low vapor pressures and nonflammability. Doping ILs with …

Formation of compounds with diverse polyelectrolyte morphologies and nonlinear ion conductance in a two-dimensional nanofluidic channel

X Liang, Y Zhou, W Zhu, WW Xu, JS Francisco… - Chemical …, 2024 - pubs.rsc.org
Aqueous electrolytes subjected to angstrom-scale confinement have recently attracted
increasing interest because of their distinctive structural and transport properties, as well as …

Colloidal Interactions in Ionic Liquids—The Electrical Double Layer Inferred from Ion Layering and Aggregation

RM Espinosa-Marzal, ZAH Goodwin… - One Hundred Years …, 2023 - ACS Publications
Ionic liquids (ILs) are organic salts that remain liquid in absence of a solvent over a wide
range of temperatures, often at room temperature. This chapter summarizes the progress in …

Electrolyte optimization for sodium-sulfur batteries

J Basel, N Sapkota, M Parekh, AM Rao - Applied Physics Letters, 2024 - pubs.aip.org
Due to high theoretical capacity, low cost, and high energy density, sodium-sulfur (Na-S)
batteries are attractive for next-generation grid-level storage systems. However, the …

Modeling the Influence of Solvation on the Electrochemical Double Layer of Salt/Solvent Mixtures

C Schwetlick, M Schammer, A Latz… - arXiv preprint arXiv …, 2024 - arxiv.org
Modelling electrolytes accurately on both a nanoscale and cell level can contribute to
improving battery chemistries.[Armand and Tarascon, Nature, 2008, 451, 652-657] We …

Anomalous diffusion of lithium-anion clusters in ionic liquids

YK Lee, JB Cho, J Kim, WB Lee, YS Jho - The European Physical Journal …, 2023 - Springer
Lithium-ion transport is significantly retarded in ionic liquids (ILs). In this work, we performed
extensive molecular dynamics simulations to mimic the kinetics of lithium ions in ILs using [N …