Vertically Oriented Propylene Carbonate Molecules and Tetraethyl Ammonium Ions in Carbon Slit Pores
Vertically Oriented Propylene Carbonate Molecules and Tetraethyl Ammonium Ions in Carbon Slit Pores
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DOI：
10.1021/jp311896q
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发表时间：
2013-03-21
影响因子：
3.7
通讯作者：
Kaneko, Katsumi
中科院分区：
文献类型：
--
作者：
Fukano, Masafumi;Fujimori, Toshihiko;Kaneko, Katsumi
我们报告了碳酸丙烯酯（PC）分子与Et 4 N+和BF 4-相互作用的垂直排列，这些分子被限制在碳化物衍生的碳和沥青基活性碳纤维的极窄的狭缝孔（w类似于0.7 nm）中。基于X射线衍射（XRD）的电子径向分布函数分析表明，与本体溶液相比，最近的PC-PC间距缩短了0.05-0.06 nm，表明PC分子在孔中堆积致密。这种限制效应的结果从垂直排列的PC分子，这是由反向蒙特卡罗分析表明。亚纳米碳孔中PC分子的系综结构将提供更好的理解超级电容器功能。
We report the vertical alignment of propylene carbonate (PC) molecules interacting with Et4N+ and BF4- which are confined in extremely narrow slit pores (w similar to 0.7 nm) of carbide-derived carbon and pitch-based activated carbon fiber. On the basis of X-ray diffraction (XRD), electron radial distribution function analysis reveals that the nearest PC-PC distance is 0.05-0.06 nm shorter than that in the bulk solution, indicating dense packing of PC molecules in the pores. This confinement effect results from the vertically aligned PC molecules, which are indicated by the reverse Monte Carlo analysis. The ensemble structure of PC molecules in the subnanometer carbon pores will provide better understanding the supercapacitor function.