期刊
JOURNAL OF POWER SOURCES
卷 326, 期 -, 页码 680-685出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.jpowsour.2016.03.095
关键词
Supercapacitors; Molecular dynamics simulation; Porous materials; Dynamic processes; Transport properties
资金
- European Research Council under the European Union's Seventh Framework Programme (FP)/ERC [102539]
- CURIE (TGCC, French National HPC) [x2015096728]
We perform molecular dynamics simulations of a typical nanoporous-carbon based supercapacitor. The organic electrolyte consists in 1-ethyl-3-methylimidazolium and hexafluorophosphate ions dissolved in acetonitrile. We simulate systems at equilibrium, for various applied voltages. This allows us to determine the relevant thermodynamic (capacitance) and transport (in-pore resistivities) properties. These quantities are then injected in a transmission line model for testing its ability to predict the charging properties of the device. The results from this macroscopic model are in good agreement with non equilibrium molecular dynamics simulations, which validates its use for interpreting electrochemical impedance experiments. (C) 2016 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据