Nanowetting of Graphene by Ionic Liquid Droplets

被引:42
作者
Herrera, Cesar [1 ]
Garcia, Gregorio [1 ]
Atilhan, Merl [2 ]
Aparicio, Santiago [1 ]
机构
[1] Univ Burgos, Dept Chem, Burgos 09001, Spain
[2] Qatar Univ, Dept Chem Engn, Doha, Qatar
关键词
SUM-FREQUENCY GENERATION; MOLECULAR-DYNAMICS; CONTACT-ANGLE; WATER DROPLETS; WETTABILITY; NANODROPLETS; TEMPERATURE; INTERFACE; GRAPHITE; PACKAGE;
D O I
10.1021/acs.jpcc.5b08713
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 behavior of nanodroplets formed by amino acid based 1-ethyl-3-methylimidazolium glycine ionic liquid on graphene sheets was studied using classic molecular dynamics. Nano droplets of different sizes were analyzed, and the contact angle was inferred. The ion graphene interaction energy was calculated as a function of droplets size, together with the ions arrangement at the interface. Likewise, wetting of SiO2 and graphene supported on SiO2 by ionic liquid nanodroplets was also analyzed. Graphene wetting by this ionic liquid is discussed in terms of the changes on fluid structure upon adsorption and the mechanism and strength of ion graphene interactions.
引用
收藏
页码:24529 / 24537
页数:9
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