Cover Feature: How to Harvest Grotthuss Diffusion in Protic Ionic Liquid Electrolyte Systems (ChemSusChem 12/2018). Issue 12 (14th June 2018)

• Record Type: Journal Article
• Authors: Ingenmey, Johannes; Gehrke, Sascha; Kirchner, Barbara
• Is Part Of: ChemSusChem. Volume 11:Issue 12(2018)
• Page Start: 1888
• Page End: 1888
• Publication Date: 2018-06-14
• Subjects: electrolytes -- fuel cells -- grotthuss diffusion -- ionic liquids -- molecular dynamics; Green chemistry -- Periodicals; Sustainable engineering -- Periodicals; Chemistry -- Periodicals; Chemical engineering -- Periodicals; 660
• DOI: 10.1002/cssc.201801286
• Languages: English
• ISSNs: 1864-5631

Abstract

Abstract : The Cover Feature shows the goddess Justitia guarding a path, labeled Grotthuss way, which runs between two mountains. The Grotthuss mechanism provides a fast path for ionic conduction and is desired in protic ionic liquids, for example, when considering their usage as electrolytes in fuel cells. Ab initio molecular dynamics simulations of a 50:50 mixture of N ‐methylimidazole and acetic acid provide an explanation for the unexpectedly high ionic conductivity of this system, in that Grotthuss‐like proton conduction can be directly observed, as depicted in the sphere. Using static quantum chemical calculations, symbolized by Justitia′s attributes Ψ and scales, possible candidates of acid–base combinations can be identified that use this easy path of proton conduction. More information can be found in the Full Paper by Ingenmey et al. on page 1900 in Issue 12, 2018 (DOI: 10.1002/cssc.201800436 ).