Water on graphene surfaces

被引：57
作者：
Gordillo, M. C. [1 ]
Marti, J. [2 ]
机构：
[1] Univ Pablo Olavide, Dept Sistemas Fis Quim & Nat, Fac Ciencias Expt, E-41013 Seville, Spain
[2] Univ Politecn Cataluna, Dept Fis & Engn Nucl, E-08034 Barcelona, Catalonia, Spain
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 2010年 / 22卷 / 28期
关键词：
MOLECULAR-DYNAMICS; LIQUID WATER; SUPERCRITICAL WATER; INFRARED-SPECTRA; ADSORPTION; INTERFACE; SIMULATION; PHASE; BEHAVIOR; MOTIONS;
D O I：
10.1088/0953-8984/22/28/284111
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
In this paper, we summarize the main results obtained in our group about the behavior of water confined inside or close to different graphene surfaces by means of molecular dynamics simulations. These include the inside and outside of carbon nanotubes, and the confinement inside a slit pore or a single graphene sheet. We paid special attention to some thermodynamical (binding energies), structural (hydrogen-bond distributions) and dynamic (infrared spectra) properties, and their comparison to their bulk counterparts.
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页数：8
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