Efficient Parametrization of Force Field for the Quantitative Prediction of the Physical Properties of Ionic Liquid Electrolytes

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.1c00268 ◽

2021 ◽

Author(s):

Nikhil V. S. Avula ◽

Anwesa Karmakar ◽

Rahul Kumar ◽

Sundaram Balasubramanian

Keyword(s):

Ionic Liquid ◽

Physical Properties ◽

Force Field ◽

Quantitative Prediction ◽

Liquid Electrolytes

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Quantitative Prediction of Physical Properties of Imidazolium Based Room Temperature Ionic Liquids through Determination of Condensed Phase Site Charges: A Refined Force Field

The Journal of Physical Chemistry B ◽

10.1021/jp500296x ◽

2014 ◽

Vol 118 (12) ◽

pp. 3409-3422 ◽

Cited By ~ 77

Author(s):

Anirban Mondal ◽

Sundaram Balasubramanian

Keyword(s):

Ionic Liquids ◽

Physical Properties ◽

Force Field ◽

Condensed Phase ◽

Room Temperature ◽

Quantitative Prediction ◽

Room Temperature Ionic Liquids

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Physical properties of high Li-ion content N-propyl-N-methylpyrrolidinium bis(fluorosulfonyl)imide based ionic liquid electrolytes

Physical Chemistry Chemical Physics ◽

10.1039/c4cp05333h ◽

2015 ◽

Vol 17 (6) ◽

pp. 4656-4663 ◽

Cited By ~ 97

Author(s):

Hyungook Yoon ◽

Adam S. Best ◽

Maria Forsyth ◽

Douglas R. MacFarlane ◽

Patrick C. Howlett

Keyword(s):

Raman Spectroscopy ◽

Ionic Liquid ◽

Physical Properties ◽

Physical Property ◽

Ion Content ◽

Ir And Raman Spectroscopy ◽

Liquid Electrolytes ◽

Ft Ir ◽

Li Ion ◽

Ir And Raman

Electrolytes based on bis(fluorosulfonyl)imide (FSI) with a range of LiFSI salt concentrations were characterized using physical property measurements, as well as NMR, FT-IR and Raman spectroscopy.

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Electrochemical Characterization of Electric Double Layer Capacitors Assembled with Pyrrolidinium-Based Ionic Liquid Electrolytes

Journal of Electrochemical Science and Technology ◽

10.33961/jecst.2016.7.3.199 ◽

2016 ◽

Vol 7 (3) ◽

pp. 199-205 ◽

Cited By ~ 3

Author(s):

Jinhyun Cho ◽

Won-Kyung Shin ◽

Dong-Won Kim ◽

Young Rae Kim ◽

Byung Jun Lee ◽

...

Keyword(s):

Ionic Liquid ◽

Double Layer ◽

Electric Double Layer ◽

Electrochemical Characterization ◽

Liquid Electrolytes ◽

Double Layer Capacitors ◽

Electric Double Layer Capacitors

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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 ◽

Molecular Dynamics Simulations ◽

Transport Properties ◽

Liquid Electrolytes ◽

Dynamics Simulations

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Modular Platform for Synthesis of Poly(Ionic Liquid) Electrolytes for Electrochemical Applications in Supercapacitors

ChemistrySelect ◽

10.1002/slct.202004240 ◽

2021 ◽

Vol 6 (15) ◽

pp. 3795-3801

Author(s):

Radostina Kalinova ◽

Ivaylo Dimitrov ◽

Christo Novakov ◽

Svetlana Veleva ◽

Antonia Stoyanova

Keyword(s):

Ionic Liquid ◽

Liquid Electrolytes ◽

Electrochemical Applications ◽

Modular Platform ◽

Poly Ionic Liquid

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Erratum: “Evaluating physical properties of the orthorhombic crystal phase of ammonium perchlorate using a Class II force field” [J. Chem. Phys. 149, 244502 (2018)]

The Journal of Chemical Physics ◽

10.1063/5.0053703 ◽

2021 ◽

Vol 154 (16) ◽

pp. 169901

Author(s):

Garrett M. Tow ◽

Edward J. Maginn

Keyword(s):

Physical Properties ◽

Force Field ◽

Ammonium Perchlorate ◽

Class Ii ◽

Chem Phys ◽

Crystal Phase ◽

Orthorhombic Crystal

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Diffusion Coefficient and Nucleation Density Studies on Electrochemical Deposition of Aluminum from Chloroaluminate Ionic Liquid Electrolytes

Journal of Electroanalytical Chemistry ◽

10.1016/j.jelechem.2021.115363 ◽

2021 ◽

pp. 115363

Author(s):

Yuxiang Peng ◽

Pravin S. Shinde ◽

Ramana G. Reddy

Keyword(s):

Ionic Liquid ◽

Diffusion Coefficient ◽

Electrochemical Deposition ◽

Nucleation Density ◽

Liquid Electrolytes

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The Na[FSA]–[C2C1im][FSA] (C2C1im+:1-ethyl-3-methylimidazolium and FSA−:bis(fluorosulfonyl)amide) ionic liquid electrolytes for sodium secondary batteries

Journal of Power Sources ◽

10.1016/j.jpowsour.2014.04.112 ◽

2014 ◽

Vol 265 ◽

pp. 36-39 ◽

Cited By ~ 54

Author(s):

Kazuhiko Matsumoto ◽

Takafumi Hosokawa ◽

Toshiyuki Nohira ◽

Rika Hagiwara ◽

Atsushi Fukunaga ◽

...

Keyword(s):

Ionic Liquid ◽

Liquid Electrolytes

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Cations of Ionic Liquid Electrolytes Can Act as a Promoter for CO2 Electrocatalysis through Reactive Intermediates and Electrostatic Stabilization

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c02898 ◽

2021 ◽

Author(s):

Björn Ratschmeier ◽

Björn Braunschweig

Keyword(s):

Ionic Liquid ◽

Reactive Intermediates ◽

Electrostatic Stabilization ◽

Liquid Electrolytes

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Lithiation/Delithiation Properties of Lithium Silicide Electrodes in Ionic-Liquid Electrolytes

ACS Applied Materials & Interfaces ◽

10.1021/acsami.0c17552 ◽

2021 ◽

Vol 13 (3) ◽

pp. 3816-3824

Author(s):

Yasuhiro Domi ◽

Hiroyuki Usui ◽

Naoya Ieuji ◽

Kei Nishikawa ◽

Hiroki Sakaguchi

Keyword(s):

Ionic Liquid ◽

Liquid Electrolytes

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