当前位置：
X-MOL 学术
›
Batteries Supercaps
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Effects of Anion on Liquid Structures of Ionic Liquids at Graphene Electrode Interface Analyzed by Molecular Dynamics Simulations
Batteries & Supercaps ( IF 5.1 ) Pub Date : 2020-03-04 , DOI: 10.1002/batt.201900197 Seiji Tsuzuki 1 , Takenobu Nakamura 1 , Tetsuya Morishita 1 , Wataru Shinoda 2 , Shiro Seki 3 , Yasuhiro Umebayashi 4 , Kazuhide Ueno 5 , Kaoru Dokko 5, 6 , Masayoshi Watanabe 5
Batteries & Supercaps ( IF 5.1 ) Pub Date : 2020-03-04 , DOI: 10.1002/batt.201900197 Seiji Tsuzuki 1 , Takenobu Nakamura 1 , Tetsuya Morishita 1 , Wataru Shinoda 2 , Shiro Seki 3 , Yasuhiro Umebayashi 4 , Kazuhide Ueno 5 , Kaoru Dokko 5, 6 , Masayoshi Watanabe 5
Affiliation
|
Molecular dynamics simulations of ionic liquids composed of N‐propyl‐N‐methylpyrrolidinium cation ([pmpyro]+) with (CF3SO2)2N− ([TFSA]−), (FSO2)2N− ([FSA]−), CF3SO3−, CF3CO2− and PF6− anions sandwiched by two charged graphene sheets show that the liquid structures near graphene sheets depend strongly on anion. Long‐range charge ordering structures were observed when the ionic liquids were sandwiched with charged graphene sheets. Although the magnitude of the oscillation of cation and anion densities near charged graphene sheets is enhanced by the increase of the charges on the graphene sheets, the range of the charge‐ordering structures from the graphene sheets does not largely change. The ranges of the charge‐ordering structures from charged graphene sheets observed in the [pmpyro][TFSA], [pmpyro][FSA], [pmpyro][CF3SO3], [pmpyro][CF3CO2] and [pmpyro][PF6] ionic liquids are approximately 40, 80, 60, 60 and 100 Å, respectively.
中文翻译：
分子动力学模拟分析阴离子对石墨烯电极界面离子液体液体结构的影响
由N-丙基-N-甲基吡咯烷鎓阳离子（[pmpyro] +）与（CF 3 SO 2）2 N -（[TFSA] -），（FSO 2）2 N -（[FSA]组成的离子液体的分子动力学模拟-），CF 3 SO 3 -，CF 3 CO 2 -和PF 6 -被两个带电石墨烯片夹在中间的阴离子表明，石墨烯片附近的液体结构强烈依赖于阴离子。当离子液体夹在带电的石墨烯片之间时，观察到长距离的有序结构。尽管通过增加石墨烯片上的电荷可以增加带电石墨烯片附近的阳离子和阴离子密度的振荡幅度，但从石墨烯片开始的电荷有序结构的范围并没有很大变化。在[pmpyro] [TFSA]，[pmpyro] [FSA]，[pmpyro] [CF 3 SO 3 ]，[pmpyro] [CF 3 CO 2 ]和[[]中观察到的带电石墨烯片的电荷排序结构范围pmpyro] [PF 6离子液体分别约为40，80，60，60和100。
更新日期：2020-03-04
中文翻译：
分子动力学模拟分析阴离子对石墨烯电极界面离子液体液体结构的影响
由N-丙基-N-甲基吡咯烷鎓阳离子（[pmpyro] +）与（CF 3 SO 2）2 N -（[TFSA] -），（FSO 2）2 N -（[FSA]组成的离子液体的分子动力学模拟-），CF 3 SO 3 -，CF 3 CO 2 -和PF 6 -被两个带电石墨烯片夹在中间的阴离子表明，石墨烯片附近的液体结构强烈依赖于阴离子。当离子液体夹在带电的石墨烯片之间时，观察到长距离的有序结构。尽管通过增加石墨烯片上的电荷可以增加带电石墨烯片附近的阳离子和阴离子密度的振荡幅度，但从石墨烯片开始的电荷有序结构的范围并没有很大变化。在[pmpyro] [TFSA]，[pmpyro] [FSA]，[pmpyro] [CF 3 SO 3 ]，[pmpyro] [CF 3 CO 2 ]和[[]中观察到的带电石墨烯片的电荷排序结构范围pmpyro] [PF 6离子液体分别约为40，80，60，60和100。
京公网安备 11010802027423号