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Cover Feature: How to Harvest Grotthuss Diffusion in Protic Ionic Liquid Electrolyte Systems (ChemSusChem 12/2018)
ChemSusChem ( IF 8.4 ) Pub Date : 2018-06-14 , DOI: 10.1002/cssc.201801286
Johannes Ingenmey 1 , Sascha Gehrke 1, 2 , Barbara Kirchner 1
Affiliation  

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).
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中文翻译:

封面人物:如何在质子离子液体电解质系统中收获谷rot扩散(ChemSusChem 12/2018)

封面功能显示女神Justitia守卫着一条标为Grotthuss方式的路径,该路径在两座山脉之间延伸。格罗特斯机制为离子传导提供了一条捷径,例如在质子离子液体中,当考虑将其用作燃料电池中的电解质时,格罗特斯机制是人们所希望的。N-甲基咪唑和乙酸的50:50混合物的从头算分子动力学模拟为该系统出乎意料的高离子电导率提供了解释,因为可以如球体所示直接观察到格罗索斯样质子传导。使用静态量子化学计算,由Justitia属性表示symbol在规模和规模上,可以使用这种简单的质子传导途径确定酸碱组合的可能候选物。可以在Ingenmey等人的论文全文中找到更多信息。就在第12,2018 1900页(:10.1002 / cssc.201800436 DOI)。
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更新日期:2018-06-14
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