Molecular dynamics simulations of ionic liquids and electrolytes using polarizable force fields

D Bedrov, JP Piquemal, O Borodin… - Chemical …, 2019 - ACS Publications
Many applications in chemistry, biology, and energy storage/conversion research rely on
molecular simulations to provide fundamental insight into structural and transport properties …

Ionic liquids as green and sustainable corrosion inhibitors for metals and alloys: an overview

C Verma, EE Ebenso, MA Quraishi - Journal of Molecular Liquids, 2017 - Elsevier
Abstract Development of green and sustainable technologies for the corrosion prevention is
highly desirable due to increasing ecological awareness and strict environmental …

Structure and nanostructure in ionic liquids

R Hayes, GG Warr, R Atkin - Chemical reviews, 2015 - ACS Publications
Much of chemistry is concerned with the study of reactions and processes in solution, that is,
where liquids are used as solvents. 2, 3 The solvent is the (excess) liquid phase in which …

Ionic liquid crystals: versatile materials

K Goossens, K Lava, CW Bielawski… - Chemical …, 2016 - ACS Publications
This Review covers the recent developments (2005–2015) in the design, synthesis,
characterization, and application of thermotropic ionic liquid crystals. It was designed to give …

Ionic liquids at electrified interfaces

MV Fedorov, AA Kornyshev - Chemical reviews, 2014 - ACS Publications
Until recently,“room-temperature”(< 100− 150 C) liquidstate electrochemistry was mostly
electrochemistry of diluted electrolytes 1− 4 where dissolved salt ions were surrounded by a …

Application of surfactants as anticorrosive materials: A comprehensive review

R Aslam, M Mobin, J Aslam, A Aslam, S Zehra… - Advances in Colloid and …, 2021 - Elsevier
Corrosion is the degradation of a metal due to its reaction with the environment. One of the
most efficient ways of securing metal surfaces from corrosion is the use of corrosion …

Ionic liquids and deep eutectics as a transformative platform for the synthesis of nanomaterials

OS Hammond, AV Mudring - Chemical Communications, 2022 - pubs.rsc.org
Ionic liquids (ILs) are becoming a revolutionary synthesis medium for inorganic
nanomaterials, permitting more efficient, safer and environmentally benign preparation of …

Ionic liquids and catalysis: Recent progress from knowledge to applications

H Olivier-Bourbigou, L Magna, D Morvan - Applied Catalysis A: General, 2010 - Elsevier
Ionic liquids and catalysis: Recent progress from knowledge to applications - ScienceDirect
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PFAS-free locally concentrated ionic liquid electrolytes for lithium metal batteries

X Liu, A Mariani, T Diemant, ME Di Pietro… - ACS Energy …, 2024 - ACS Publications
Locally concentrated electrolytes are promising candidates for highly reversible lithium–
metal anodes (LMAs) but heavily rely on cosolvents containing− CF3 and/or− CF2–groups …

Polarizable force field development and molecular dynamics simulations of ionic liquids

O Borodin - The Journal of Physical Chemistry B, 2009 - ACS Publications
A many-body polarizable force field has been developed and validated for ionic liquids (ILs)
containing 1-methyl-3-alkylimidazolium, 1-alkyl-2-methyl-3-alkylimidazolium, N-methyl-N …