Deep Eutectic Solvent Reline at 2D Nanomaterial Interfaces

被引：24

作者：

Rozas, Sara ^{[1
]}

Atilhan, Mert ^{[2
,3
]}

Aparicio, Santiago ^{[1
]}

机构：

[1] Univ Burgos, Dept Chem, Burgos 09001, Spain

[2] Texas A&M Univ Qatar, Dept Chem Engn, Doha, Qatar

[3] Texas A&M Univ, Gas & Fuels Res Ctr, College Stn, TX 77843 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2020年 / 124卷 / 07期

关键词：

MOLECULAR-DYNAMICS SIMULATIONS; CHOLINE CHLORIDE; IONIC LIQUIDS; WATER; BIODEGRADABILITY; EXFOLIATION; TEMPERATURE; PACKAGE;

D O I：

10.1021/acs.jpcb.9b08873

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 reline (choline chloride mixed with urea at a 1-to-2 mole ratio) deep eutectic solvent at the interfaces of 2D nanomaterials was studied by using molecular simulation methods. Graphene, boron nitride, silicene, germanene, and molybdenum disulfide were studied for considering the most relevant features of available 2D nanomaterials. The reline-nanomaterial interactions were analyzed, and the mechanism of reline adsorption with the properties at the interfaces was studied. Likewise, the behavior of the deep eutectic solvent upon confinement between parallel nanosheets was considered as a model of properties when placed in slit nanopores. The results provide a nanoscopic vision of the adsorption and confinement of reline regarding 2D nanomaterials, thus advancing the development of new materials based on deep eutectics.

引用

页码：1197 / 1206

页数：10

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