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Self-assembly of graphenes Jae Hyun Park, N.R. Aluru

Summary: Self-assembly of graphenes
Jae Hyun Park, N.R. Aluru
Beckman Institute for Advanced Science and Technology, Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801, United States
a b s t r a c ta r t i c l e i n f o
Available online 26 February 2011
Molecular dynamics simulation
Potential of mean force
Hydrogen bond
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 isdescribed. Other fundamental quantities such ashydrogen 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.
2011 Elsevier B.V. All rights reserved.


Source: Aluru, Narayana R. - Department of Mechanical and Industrial Engineering, University of Illinois at Urbana-Champaign


Collections: Engineering; Materials Science