Layer-based thermal migration of an ionic liquid nano-droplet on a graphene surface: a molecular dynamics study

Interfacial Polarization and Ionic Structure at the Ionic Liquid–Metal Interface Studied by Vibrational Spectroscopy and Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c11232 ◽

2021 ◽

Vol 125 (10) ◽

pp. 2741-2753

Author(s):

Matthew J. Voegtle ◽

Tanmoy Pal ◽

Anuj K. Pennathur ◽

Sevan Menachekanian ◽

Joel G. Patrow ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Liquid Metal ◽

Vibrational Spectroscopy ◽

Interfacial Polarization ◽

Ionic Structure ◽

Metal Interface ◽

Understanding Structural and Transport Properties of Dissolved Li 2 S 8 in Ionic Liquid Electrolytes through Molecular Dynamics Simulations

ChemPhysChem ◽

10.1002/cphc.202000555 ◽

2021 ◽

Vol 22 (4) ◽

pp. 419-429

Author(s):

Tianyuan Hu ◽

Yanlei Wang ◽

Feng Huo ◽

Hongyan He ◽

Suojiang Zhang

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Transport Properties ◽

Liquid Electrolytes ◽

Molecular Dynamics in Ionic Liquid/Radical Systems

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.1c02118 ◽

2021 ◽

Author(s):

Bulat Gizatullin ◽

Carlos Mattea ◽

Siegfried Stapf

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid

Solvent behavior of an ionic liquid set around a cellulose Iβ crystallite model through molecular dynamics simulations

Cellulose ◽

10.1007/s10570-021-03992-7 ◽

2021 ◽

Author(s):

Joel A. Sánchez-Badillo ◽

Marco Gallo ◽

José G. Rutiaga-Quiñones ◽

Pablo López-Albarrán

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Cellulose Iβ ◽

Molecular dynamics and electrical conductivity of Guanidinium based ionic liquid crystals: Influence of cation headgroup configuration

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.115666 ◽

2021 ◽

Vol 330 ◽

pp. 115666

Author(s):

Mohamed A. Kolmangadi ◽

Arda Yildirim ◽

Kathrin Sentker ◽

Martin Butschies ◽

Andrea Bühlmeyer ◽

...

Keyword(s):

Molecular Dynamics ◽

Electrical Conductivity ◽

Ionic Liquid ◽

Liquid Crystals ◽

Ionic Liquid Crystals

Concentration-Dependent Hydrogen Bond Behavior of Ethylammonium Nitrate Protic Ionic Liquid–Water Mixtures Explored by Molecular Dynamics Simulations

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.7b00205 ◽

2017 ◽

Vol 62 (8) ◽

pp. 2340-2349 ◽

Cited By ~ 15

Author(s):

Yiping Huang ◽

Zheng Wan ◽

Zhen Yang ◽

Yuanhui Ji ◽

Li Li ◽

...

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Ionic Liquid ◽

Liquid Water ◽

Protic Ionic Liquid ◽

Bond Behavior ◽

Ethylammonium Nitrate ◽

Study of molecular dynamics of the pharmaceutically important protic ionic liquid verapamil hydrochloride. II. Test of entropic models

The Journal of Chemical Physics ◽

10.1063/1.3336726 ◽

2010 ◽

Vol 132 (9) ◽

pp. 094506 ◽

Cited By ~ 14

Author(s):

Z. Wojnarowska ◽

K. Grzybowska ◽

A. Grzybowski ◽

M. Paluch ◽

K. Kaminski ◽

...

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Protic Ionic Liquid ◽

Verapamil Hydrochloride

Nonequilibrium Molecular Dynamics Simulation

Exploration of bulk and interface behavior of gas molecules and 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid using equilibrium and nonequilibrium molecular dynamics simulation and quantum chemical calculation

Physical Chemistry Chemical Physics ◽

10.1039/c7cp07714a ◽

2018 ◽

Vol 20 (15) ◽

pp. 10121-10131 ◽

Cited By ~ 1

Author(s):

Quan Yang ◽

Luke E. K. Achenie

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Quantum Chemical ◽

Md Simulation ◽

Dynamics Simulation ◽

Nonequilibrium Molecular Dynamics ◽

Chemical Calculation ◽

Interface Behavior ◽

Gas Molecules ◽

In-depth exploration of bulk and interface behavior of penetrants and ILs via MD simulation and QC calculation.

Fullerene C60 spectroscopy in [BMIM][PF6] ionic liquid: molecular dynamics study using polarization effects

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131887 ◽

2021 ◽

pp. 131887

Author(s):

Wesley Bueno Cardoso ◽

Guilherme Colherinhas

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Fullerene C60 ◽

Polarization Effects

An overview of neutron scattering and molecular dynamics simulation studies of phospholipid bilayers in room-temperature ionic liquid/water solutions

Physica B Condensed Matter ◽

10.1016/j.physb.2018.02.043 ◽

2018 ◽

Vol 551 ◽

pp. 227-231 ◽

Cited By ~ 7

Author(s):

Antonio Benedetto ◽

Pietro Ballone

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Liquid Water ◽

Room Temperature ◽

Phospholipid Bilayers ◽

Dynamics Simulation ◽

Simulation Studies ◽

Water Solutions