Well-ordered structure at ionic liquid/rutile (110) interface

被引：46

作者：

Liu, Lei

Li, Shu

Cao, Zhen

Peng, Yuxing

Li, Guoran

Yan, Tianying ^{[1
]}

Gao, Xue-Ping

机构：

[1] Nankai Univ, Inst New Energy Mat Chem, Tianjin 300071, Peoples R China

[2] Nankai Univ, Dept Chem Mat, Tianjin 300071, Peoples R China

[3] Nankai Univ, Inst Comp Sci, Tianjin 300071, Peoples R China

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2007年 / 111卷 / 33期

关键词：

D O I：

10.1021/jp075444x

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The interface between the ionic liquid (IL) 1-butyl-3-methyl-imidazolium nitrate [BMIM+][NO3-]and the titanium dioxide rutile (110) surface is studied by classical molecular dynamics simulation. The simulation shows that the NO3- anions segregate on the surface and organize themselves into a highly ordered manner. The BMIM+ cations are found to occupy the region next to the absorbed NO3- layer, and the imidazolium (im) ring of the cation has a large tendency to slant with the im ring normal nearly perpendicular to the rutile (110) surface normal. The interfacial structure found in the current study may provide new insight to understand the double layer structure at the IL/solid interface.

引用

收藏

页码：12161 / 12164

页数：4

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