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Self-Assembly of Graphene Nanoribbons with Unsaturated Edges

Published online by Cambridge University Press:  06 March 2012

Andrew L. J. Pang ,
Viacheslav Sorkin  and
Yong-Wei Zhang
Andrew L. J. Pang
Affiliation:
Engineering Mechanics Department, Institute of High Performance Computing, Singapore 138632, Singapore
Viacheslav Sorkin
Affiliation:
Engineering Mechanics Department, Institute of High Performance Computing, Singapore 138632, Singapore
Yong-Wei Zhang
Affiliation:
Engineering Mechanics Department, Institute of High Performance Computing, Singapore 138632, Singapore
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Abstract

We studied the self-assembly mechanisms of Graphene Nanoribbon (GNR) with unsaturated edges and demonstrated the ability of GNR to self-assemble into novel stable structures. We proposed three mechanisms which dictate the self-assembly evolution of GNR with unsaturated edges. Using the Adaptive Intermolecular Reactive Empirical Bond-Order (AIREBO) potential, we performed molecular dynamics simulations on initially-planar GNRs with unsaturated edges. The simulation results showed that the self-assembly mechanisms and final conformations of the GNRs correlate well with the proposed GNR self-assembly mechanisms. Furthermore, the simulations also showed the ability of a narrow GNR to self-assemble into various nanostructures, such as tapered graphene nano-rings and graphene nanoscrolls with an embedded nanotube.

Keywords

self-assemblymorphologysimulation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1407: Symposium AA – Carbon Nanotubes, Graphene and Related Nanostructures , 2012 , mrsf11-1407-aa15-103
Copyright
Copyright © Materials Research Society 2012

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References

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