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Nano-Structure of Solvate Ionic Liquids at Graphitic Interfaces: A molecular dynamics study

Jan 05, 2017 | 04:00 PM

Samuel Coles, Oxford University, UK

Solvate ionic liquids are a subclass of ionic liquids that have the potential to be used in a range of electrochemical devices [1]. While solvate ionic liquids usually contain the same anions as aprotic ionic liquids, their cations are complexes composed of a solvent molecule and a metal ion. A variety of salts and solvents have been combined to create solvate ionic liquids. The most com- monly studied mixtures consist of an equimolar mixture of a lithium salt and short chain dimethyl polyether (glyme). Study of lithium glyme solvate ionic liquids have shown them to have similar favorable properties to those exhibited by aprotic ionic liquids such as a large electrochemical win- dow and high thermal stability [1-2]. Development of these liquids for electrochemical applications requires an understanding of the interfacial behavior of solvate ionic liquids. Molecular dynamics simulations of one such solvate ionic liquid were performed for graphitic electrodes. The results show a novel structure in line with that observed at gold interfaces in Atomic Force Microscopy Experiments [3].


[1] K. Ueno, K. Yoshida, M. Tsuchiya, N. Tachikawa, K. Dokko, and M. Watanabe, J. Phys. Chem. B, 116 11323–11331, (2012).

[2] T. Mandai, K. Yoshida, K. Ueno, K. Dokko, and M. Watanabe, Phys. Chem. Chem. Phys.,16, 8761–8772, (2014).

[3] B. McLean, L. Hua, R. Stefanovic, R. J. Wood, G. B. Webber, K. Ueno, M. Watanbe, G., G. Warr, A. Page and R. Atkin, Phys. Chem. Chem. Phys., 17, 325-333, (2015).

Time & Location

Jan 05, 2017 | 04:00 PM

Seminar Room T2 (1.4.03)