[HTML][HTML] Ionic liquid electrolytes for sodium-ion batteries to control thermal runaway

K Sirengo, A Babu, B Brennan, SC Pillai - Journal of Energy Chemistry, 2023 - Elsevier
Sodium-ion batteries are expected to be more affordable for stationary applications than
lithium-ion batteries, while still offering sufficient energy density and operational capacity to …

Progress in safe nano-structured electrolytes for sodium ion batteries: A comprehensive review

M Tawalbeh, A Ali, B Aljawrneh, A Al-Othman - Nano-Structures & Nano …, 2024 - Elsevier
Sodium ion batteries (SIBs) have resurfaced into the spotlight, given the supply chain
uncertainties and the soaring demand for lithium-ion batteries (LIBs). Although, even now …

Theoretical Investigation of the Na+ Transport Mechanism and the Performance of Ionic Liquid-Based Electrolytes in Sodium-Ion Batteries

TC Lourenco, LG Dias, JLF Da Silva - ACS Applied Energy …, 2021 - ACS Publications
Ionic liquids are a promising alternative to common organic electrolytes in sodium-ion
batteries that offer a unique combination of physical and chemical properties, leading to the …

Ionic Liquid@ Metal-organic framework as a solid electrolyte in a lithium-ion battery: Current performance and perspective at molecular level

MF Majid, HF Mohd Zaid, CF Kait, A Ahmad, K Jumbri - Nanomaterials, 2022 - mdpi.com
Searching for a suitable electrolyte in a lithium-ion battery is a challenging task. The
electrolyte must not only be chemically and mechanically stable, but also be able to …

Nonpolarizable force fields through the self-consistent modeling scheme with MD and DFT methods: from ionic liquids to self-assembled ionic liquid crystals

Y Ishii, N Matubayasi, H Washizu - The Journal of Physical …, 2022 - ACS Publications
A key to achieve the accuracy of molecular dynamics (MD) simulation is the set of force
fields used to express the atomistic interactions. In particular, the electrostatic interaction …

Fluoroalkoxyaluminate-based ionic liquids as electrolytes for sodium-ion batteries

J Fiates, RH Ratochinski, TC Lourenco… - Journal of Molecular …, 2023 - Elsevier
Ionic liquids (ILs) are a promising class of materials because of their unique properties such
as high electrochemical stability window and intrinsic conductive nature, which are desirable …

Identification of sodiation mechanisms in graphite-based negative electrodes by molecular dynamics simulations combined with potential of mean force

TC Lourenço, LJA Siqueira, LG Dias, JLF Da Silva - Electrochimica Acta, 2023 - Elsevier
In this study, we presented a theoretical investigation focused on the free energy barriers
associated with Na+ intercalation in various negative electrode morphologies based on …

Sodium triflate water-in-salt electrolytes in advanced battery applications: a first-principles-based molecular dynamics study

M Rezaei, S Sakong, A Groß - ACS Applied Materials & Interfaces, 2024 - ACS Publications
Offering a compelling combination of safety and cost-effectiveness, water-in-salt (WiS)
electrolytes have emerged as promising frontiers in energy storage technology. Still, there is …

Efficient parametrization of force field for the quantitative prediction of the physical properties of ionic liquid electrolytes

NVS Avula, A Karmakar, R Kumar… - Journal of Chemical …, 2021 - ACS Publications
The prediction of transport properties of room-temperature ionic liquids from nonpolarizable
force field-based simulations has long been a challenge. The uniform charge scaling …

On the Na+ transport and electrochemical stability window in NaTFSI: NMA deep eutectic solvent

J Fiates, AFB Bittencourt, TC Lourenço, LG Dias… - Journal of Molecular …, 2024 - Elsevier
Deep eutectic solvents (DES), such as the Image 1: Image 2 (sodium bistrifluoromethane
sulfonyl imide-N-methyl acetamide) system, have been considered as promising electrolytes …