Next Article in Journal
The Study on the Overall Plasma Electrolytic Oxidation for 6061–7075 Dissimilar Aluminum Alloy Welded Parts Based on the Dielectric Breakdown Theory
Next Article in Special Issue
Development of Coarse-Grained Liquid-Crystal Polymer Model with Efficient Electrostatic Interaction: Toward Molecular Dynamics Simulations of Electroactive Materials
Previous Article in Journal
Enhancing of Osseointegration with Propolis-Loaded TiO2 Nanotubes in Rat Mandible for Dental Implants
Previous Article in Special Issue
Thermotropic Liquid Crystal-Assisted Chemical and Biological Sensors
Article Menu
Issue 1 (January) cover image

Export Article

Open AccessArticle
Materials 2018, 11(1), 64; https://doi.org/10.3390/ma11010064

Charge Transport and Phase Behavior of Imidazolium-Based Ionic Liquid Crystals from Fully Atomistic Simulations

Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, IN 46556, USA
*
Author to whom correspondence should be addressed.
Received: 10 November 2017 / Revised: 15 December 2017 / Accepted: 20 December 2017 / Published: 2 January 2018
(This article belongs to the Special Issue Liquid Crystal-Assisted Advanced Functional Materials)
Full-Text   |   PDF [2541 KB, uploaded 23 January 2018]   |  

Abstract

Ionic liquid crystals occupy an intriguing middle ground between room-temperature ionic liquids and mesostructured liquid crystals. Here, we examine a non-polarizable, fully atomistic model of the 1-alkyl-3-methylimidazolium nitrate family using molecular dynamics in the constant pressure–constant temperature ensemble. These materials exhibit a distinct “smectic” liquid phase, characterized by layers formed by the molecules, which separate the ionic and aliphatic moieties. In particular, we discuss the implications this layering may have for electrolyte applications. View Full-Text
Keywords: ionic liquids; liquid crystals; ionic liquid crystals; phase; charge transport ionic liquids; liquid crystals; ionic liquid crystals; phase; charge transport
Figures

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
SciFeed

Share & Cite This Article

MDPI and ACS Style

Quevillon, M.J.; Whitmer, J.K. Charge Transport and Phase Behavior of Imidazolium-Based Ionic Liquid Crystals from Fully Atomistic Simulations. Materials 2018, 11, 64.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Materials EISSN 1996-1944 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top