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首页> 外文期刊>Physical chemistry chemical physics: PCCP >A superionic state in nano-porous double-layer capacitors: insights from Monte Carlo simulations
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A superionic state in nano-porous double-layer capacitors: insights from Monte Carlo simulations

机译：纳米多孔双层电容器中的超离子状态：蒙特卡洛模拟的见解

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摘要

Recently observed anomalous properties of ionic-liquid-based nanoporous supercapacitors [C. Largot et al., J. Am. Chem. Soc., 2008, 130, 2730-2731] have attracted much attention. Here we present Monte Carlo simulations of a model ionic liquid in slit-like metallic nanopores. We show that exponential screening of the electrostatic interactions of ions inside a pore, as well as the image-charge attraction of ions to the pore surface, lead to the 'anomalous' increase of the capacitance with decreasing the pore width. The simulation results are in good agreement with the experimental data. The capacitance as a function of voltage is almost constant for low voltages and vanishes above a certain threshold voltage. For very narrow pores, these two regions are separated by a peak. With increase of the pore size the peak turns into a bump and disappears for wide pores. This effect, related to a specific character of the voltage-induced filling of nanopores with counterions at high densities, is yet to be verified experimentally.
机译：最近观察到的基于离子液体的纳米多孔超级电容器的异常特性[C. Largot等，J。Am。化学[Soc。，2008，130，2730-2731]引起了很多关注。在这里，我们介绍狭缝状金属纳米孔中模型离子液体的蒙特卡洛模拟。我们显示，对孔内离子的静电相互作用以及离子对孔表面的图像电荷吸引的指数筛选，会导致电容“异常”增加，同时孔宽度减小。仿真结果与实验数据吻合良好。对于低电压，作为电压的函数的电容几乎恒定，并且在某个阈值电压以上消失。对于非常狭窄的孔，这两个区域被一个峰分开。随着孔尺寸的增加，峰变成凸点，并消失，出现宽孔。这种效应与电压诱导的高密度抗衡离子填充纳米孔的特定特征有关，尚待实验验证。

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