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Structure and Dynamics of Benzyl-NX3 (X = Me, Et) Trifluoromethanesulfonate Ionic Liquids

Sunda, Anurag Prakash; Dhavale, Vishal M.; Kurungot, Sreekumar; VENKATNATHAN, ARUN (American Chemical Society, 2014-02)

Ammonium-based benzyl-NX3 (X = methyl, ethyl) trifluoromethanesulfonate (TFA) ionic liquids (ILs) are low cost, nontoxic, thermally stable ion-conducting electrolytes in fuel cells and batteries. In the present study, we ...
Atomistic investigation of polymer electrolyte membrane nanostructure and dynamics of molecular transport in fuel cells

SUNDA, ANURAG PRAKASH (Dept. of Chemistry, 2014-05)

In Polymer Electrolyte Membrane (PEM) fuel cells, the PEM is sandwiched between the electrodes to facilitate the proton transport from anode to cathode. A molecular study of structural and dynamical properties of various ...
Molecular Simulations of Anion and Temperature Dependence on Structure and Dynamics of 1-Hexyl-3-methylimidazolium Ionic Liquids

RAMYA, K. R.; Kumar, Praveen; VENKATNATHAN, ARUN (American Chemical Society, 2015-11)

In this study, we examine the effect of various anions and temperature on structure and dynamics of 1-hexyl-3-methylimidazolium ionic liquids (ILs) from molecular dynamics simulations. The structural properties show that ...

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