Self-assembly of graphenes

被引：16

作者：

Park, Jae Hyun ^{[1
]}

Aluru, N. R. ^{[1
]}

机构：

[1] Univ Illinois, Beckman Inst Adv Sci & Technol, Dept Mech Sci & Engn, Urbana, IL 61801 USA

来源：

SURFACE SCIENCE | 2011年 / 605卷 / 17-18期

基金：

美国国家科学基金会;

关键词：

Graphene; Self-assembly; Water; Molecular dynamics simulation; Potential of mean force; Hydrogen bond; MOLECULAR-DYNAMICS; HYDROPHOBIC INTERACTION; AQUEOUS-SOLUTION; LIQUID WATER; FREE-ENERGY; SIMULATIONS; CRYSTALS; SOLUTES; CARBON;

D O I：

10.1016/j.susc.2011.02.011

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：

Given the technological significance of graphene, various aspects of graphene have been recently explored. Here, we demonstrate the self-assembly of graphene fragments in water using molecular dynamics simulation. We observe that graphene fragments dispersed in water are assembled into a single aggregate. The assembly process is investigated by using the potential of mean force analysis and the significance of the enthalpic and entropic contributions is described. Other fundamental quantities such as hydrogen bonding and excluded volume are also examined. We anticipate that the fundamental finding in this paper can be extended to design the assembly process of complex carbon-based structures. (C) 2011 Elsevier B.V. All rights reserved.

引用

页码：1616 / 1620

页数：5

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