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有机溶剂增强双阳离子离子液体电解质的性能

Enhanced performance of dicationic ionic liquid electrolytes by organic solvents.

作者信息

Li Song, Zhang Pengfei, Fulvio Pasquale F, Hillesheim Patrick C, Feng Guang, Dai Sheng, Cummings Peter T

机构信息

Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN 37235, USA.

出版信息

J Phys Condens Matter. 2014 Jul 16;26(28):284105. doi: 10.1088/0953-8984/26/28/284105. Epub 2014 Jun 12.

Abstract

The use of dicationic ionic liquid (DIL) electrolytes in supercapacitors is impeded by the slow dynamics of DILs, whereas the addition of organic solvents into DIL electrolytes improves ion transport and then enhances the power density of supercapacitors. In this work, the influences of organic solvents on the conductivity of DILs and the electrical double layer (EDL) of DIL-based supercapacitors are investigated using classical molecular dynamics simulation. Two types of organic solvents, acetonitrile (ACN) and propylene carbonate (PC), were used to explore the effects of different organic solvents on the EDL structure and capacitance of DIL/organic solvent-based supercapacitors. Firstly, it was found that the conductivity of DIL electrolytes was greatly enhanced in the presence of the organic solvent ACN. Secondly, a stronger adsorption of PC on graphite results in different EDL structures formed by DIL/ACN and DIL/PC electrolytes. The expulsion of co-ions from EDLs was observed in DIL/organic solvent electrolytes rather than neat DILs and this feature is more evident in DIL/PC. Furthermore, the bell-shaped differential capacitance-electric potential curve was not essentially changed by the presence of organic solvents. Comparing DIL/organic solvent electrolytes with neat DILs, the capacitance is slightly increased by organic solvents, which is in agreement with experimental observation.

摘要

双阳离子离子液体(DIL)电解质在超级电容器中的应用受到DILs动力学缓慢的阻碍,而向DIL电解质中添加有机溶剂可改善离子传输,进而提高超级电容器的功率密度。在这项工作中,使用经典分子动力学模拟研究了有机溶剂对DILs电导率和基于DIL的超级电容器双电层(EDL)的影响。使用两种类型的有机溶剂,乙腈(ACN)和碳酸丙烯酯(PC),来探究不同有机溶剂对基于DIL/有机溶剂的超级电容器的EDL结构和电容的影响。首先,发现在有机溶剂ACN存在下,DIL电解质的电导率大大提高。其次,PC在石墨上的吸附更强,导致由DIL/ACN和DIL/PC电解质形成不同的EDL结构。在DIL/有机溶剂电解质中观察到共离子从EDL中排出,而不是在纯DIL中,并且这一特征在DIL/PC中更明显。此外,有机溶剂的存在并没有本质上改变钟形微分电容-电势曲线。将DIL/有机溶剂电解质与纯DILs进行比较,有机溶剂使电容略有增加,这与实验观察结果一致。

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