The nanostructure of a lithium glyme solvate ionic liquid at electrified interfacesElectronic supplementary information (ESI) available: Containing a description of the nanostructure at the positive electrode, simulations of bulk solvate ionic liquid, cell potential plots, and force field parameters. See DOI: 10.1039/c7cp00837f

• Main Authors: Coles, Samuel W, Mishin, Maksim, Perkin, Susan, Fedorov, Maxim V, Ivaništšev, Vladislav B
• Format: Journal Article
• Language: English
• Published: 10.05.2017
• ISSN: 1463-9076; 1463-9084
• DOI: 10.1039/c7cp00837f

Solvate ionic liquids are a subclass of ionic liquids that have the potential to be used in a range of electrochemical devices. We present molecular dynamics simulations of the interfacial structure of thin films of one such lithium based solvate ionic liquid, [Li(G4)][TFSI], an equimolar solution of tetraglyme and lithium bistriflimide. This solvate ionic liquid is shown to form a novel interfacial structure at a plane electrode, which differs in a number of ways from the nanostructure observed for a conventional ionic liquid at similar interfaces. This paper explores the structural composition of the interfacial layers of this solvate ionic liquid, including their variation with surface charge, and the relation between chemical structure and interfacial arrangement. Lithium glymes adopt a distinct nanostructure at the negative electrode, unlike that observed with conventional ionic liquids.