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Defect enabled formation of multilayered funnel from isolated graphene nanoring

Molecular dynamics simulations demonstrate that the cut defect can induce and guide the self-assembly of an isolated graphene nanoring (GNR) to form multi-layered funnel morphology. The vdW force is the driving force; the tangent component drives the self-assembly of GNR and the normal component adj... Full description

Journal Title: Physical Chemistry Chemical Physics 2016, Vol.18(45), pp.31323-31329
Main Author: Zhao, Xiaolin
Other Authors: Zhong, Lijie , Li, Yunfang , Xu, Shuqiong , Fu, Hongjin , Lu, Zhaoxin , Zhang, Danhui
Format: Electronic Article Electronic Article
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ID: ISSN: 1463-9076 ; E-ISSN: 1463-9084 ; DOI: 10.1039/c6cp06739e
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recordid: rscc6cp06739e
title: Defect enabled formation of multilayered funnel from isolated graphene nanoring
format: Article
creator:
  • Zhao, Xiaolin
  • Zhong, Lijie
  • Li, Yunfang
  • Xu, Shuqiong
  • Fu, Hongjin
  • Lu, Zhaoxin
  • Zhang, Danhui
subjects:
  • Carbon
  • Graphene
  • Stacking
  • Self Assembly
  • Cracks
  • Funnels
  • Nanostructure
  • Defects
  • Miscellaneous Sciences (So)
  • Chemical and Electrochemical Properties (MD)
  • Chemical and Electrochemical Properties (Ep)
  • Chemical and Electrochemical Properties (Ed)
  • Chemical and Electrochemical Properties (EC)
ispartof: Physical Chemistry Chemical Physics, 2016, Vol.18(45), pp.31323-31329
description: Molecular dynamics simulations demonstrate that the cut defect can induce and guide the self-assembly of an isolated graphene nanoring (GNR) to form multi-layered funnel morphology. The vdW force is the driving force; the tangent component drives the self-assembly of GNR and the normal component adjusts and maintains the vertical distance between graphene layers, which is two times of the vdW radius. Moreover, the offset stacking aids the adjacent layers to achieve the lowest energy of AB stacking. With different diameters of the annular GNRs, the final configurations experience multilayered cone, funnel and tube-shaped structures. It also illustrates the influence of temperature in the funnel-forming process. The wide gap with two edges beyond the cutoff distance of vdW force can utilize fullerenes to help and induce the assembly of the GNR. Cutting defect fissure would be a new way to induce the self-assembly of isolated graphene to design and fabricate new carbon nanostructures without impurities.
language:
source:
identifier: ISSN: 1463-9076 ; E-ISSN: 1463-9084 ; DOI: 10.1039/c6cp06739e
fulltext: no_fulltext
issn:
  • 1463-9076
  • 1463-9084
  • 14639084
  • 14639076
url: Link


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titleDefect enabled formation of multilayered funnel from isolated graphene nanoring
creatorZhao, Xiaolin ; Zhong, Lijie ; Li, Yunfang ; Xu, Shuqiong ; Fu, Hongjin ; Lu, Zhaoxin ; Zhang, Danhui
ispartofPhysical Chemistry Chemical Physics, 2016, Vol.18(45), pp.31323-31329
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descriptionMolecular dynamics simulations demonstrate that the cut defect can induce and guide the self-assembly of an isolated graphene nanoring (GNR) to form multi-layered funnel morphology. The vdW force is the driving force; the tangent component drives the self-assembly of GNR and the normal component adjusts and maintains the vertical distance between graphene layers, which is two times of the vdW radius. Moreover, the offset stacking aids the adjacent layers to achieve the lowest energy of AB stacking. With different diameters of the annular GNRs, the final configurations experience multilayered cone, funnel and tube-shaped structures. It also illustrates the influence of temperature in the funnel-forming process. The wide gap with two edges beyond the cutoff distance of vdW force can utilize fullerenes to help and induce the assembly of the GNR. Cutting defect fissure would be a new way to induce the self-assembly of isolated graphene to design and fabricate new carbon nanostructures without impurities.
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subjectCarbon ; Graphene ; Stacking ; Self Assembly ; Cracks ; Funnels ; Nanostructure ; Defects ; Miscellaneous Sciences (So) ; Chemical and Electrochemical Properties (MD) ; Chemical and Electrochemical Properties (Ep) ; Chemical and Electrochemical Properties (Ed) ; Chemical and Electrochemical Properties (EC);
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titleDefect enabled formation of multilayered funnel from isolated graphene nanoring
descriptionMolecular dynamics simulations demonstrate that the cut defect can induce and guide the self-assembly of an isolated graphene nanoring (GNR) to form multi-layered funnel morphology. The vdW force is the driving force; the tangent component drives the self-assembly of GNR and the normal component adjusts and maintains the vertical distance between graphene layers, which is two times of the vdW radius. Moreover, the offset stacking aids the adjacent layers to achieve the lowest energy of AB stacking. With different diameters of the annular GNRs, the final configurations experience multilayered cone, funnel and tube-shaped structures. It also illustrates the influence of temperature in the funnel-forming process. The wide gap with two edges beyond the cutoff distance of vdW force can utilize fullerenes to help and induce the assembly of the GNR. Cutting defect fissure would be a new way to induce the self-assembly of isolated graphene to design and fabricate new carbon nanostructures without impurities.
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titleDefect enabled formation of multilayered funnel from isolated graphene nanoring
authorZhao, Xiaolin ; Zhong, Lijie ; Li, Yunfang ; Xu, Shuqiong ; Fu, Hongjin ; Lu, Zhaoxin ; Zhang, Danhui
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abstractMolecular dynamics simulations demonstrate that the cut defect can induce and guide the self-assembly of an isolated graphene nanoring (GNR) to form multi-layered funnel morphology. The vdW force is the driving force; the tangent component drives the self-assembly of GNR and the normal component adjusts and maintains the vertical distance between graphene layers, which is two times of the vdW radius. Moreover, the offset stacking aids the adjacent layers to achieve the lowest energy of AB stacking. With different diameters of the annular GNRs, the final configurations experience multilayered cone, funnel and tube-shaped structures. It also illustrates the influence of temperature in the funnel-forming process. The wide gap with two edges beyond the cutoff distance of vdW force can utilize fullerenes to help and induce the assembly of the GNR. Cutting defect fissure would be a new way to induce the self-assembly of isolated graphene to design and fabricate new carbon nanostructures without impurities.
doi10.1039/c6cp06739e
pages31323-31329
date2016-11-16