Controlling armchair and zigzag edges in oxidative cutting of graphene

Mahasin Alam Sk; Lin Huang; Peng Chen; Kok Hwa Lim

doi:10.1039/c6tc01947a

Controlling armchair and zigzag edges in oxidative cutting of graphene

Mahasin Alam Sk, Lin Huang, Peng Chen^*, Kok Hwa Lim

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

8 Citations (Scopus)

Abstract

Density-functional theory (DFT) calculations reveal that the formation of an armchair epoxy chain on a graphene sheet is energetically favorable when oxidation occurred on both sides of the graphene sheet. However, the formation of a zigzag epoxy chain is favorable when oxidation occurred on the same side of the graphene sheet. In addition, the zigzag epoxy chain formation on the graphene sheet becomes energetically more favorable when external strain is applied on graphene. Our theoretical calculations show that the edge (armchair or zigzag) of graphene nanoribbons (GNRs) and graphene quantum dots (GQDs) can be synthetically controlled by (a) experimental conditions which allow the oxidation of graphene to occur on either one or both sides of the graphene sheet and (b) engineering the strain on the graphene sheet.

Original language	English
Pages (from-to)	6539-6545
Number of pages	7
Journal	Journal of Materials Chemistry C
Volume	4
Issue number	27
DOIs	https://doi.org/10.1039/c6tc01947a
Publication status	Published - 2016
Externally published	Yes

Bibliographical note

Publisher Copyright:
This journal is © The Royal Society of Chemistry 2016.

ASJC Scopus Subject Areas

General Chemistry
Materials Chemistry

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10.1039/c6tc01947a

Cite this

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title = "Controlling armchair and zigzag edges in oxidative cutting of graphene",

abstract = "Density-functional theory (DFT) calculations reveal that the formation of an armchair epoxy chain on a graphene sheet is energetically favorable when oxidation occurred on both sides of the graphene sheet. However, the formation of a zigzag epoxy chain is favorable when oxidation occurred on the same side of the graphene sheet. In addition, the zigzag epoxy chain formation on the graphene sheet becomes energetically more favorable when external strain is applied on graphene. Our theoretical calculations show that the edge (armchair or zigzag) of graphene nanoribbons (GNRs) and graphene quantum dots (GQDs) can be synthetically controlled by (a) experimental conditions which allow the oxidation of graphene to occur on either one or both sides of the graphene sheet and (b) engineering the strain on the graphene sheet.",

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T1 - Controlling armchair and zigzag edges in oxidative cutting of graphene

AU - Sk, Mahasin Alam

AU - Huang, Lin

AU - Chen, Peng

AU - Lim, Kok Hwa

N1 - Publisher Copyright: This journal is © The Royal Society of Chemistry 2016.

PY - 2016

Y1 - 2016

N2 - Density-functional theory (DFT) calculations reveal that the formation of an armchair epoxy chain on a graphene sheet is energetically favorable when oxidation occurred on both sides of the graphene sheet. However, the formation of a zigzag epoxy chain is favorable when oxidation occurred on the same side of the graphene sheet. In addition, the zigzag epoxy chain formation on the graphene sheet becomes energetically more favorable when external strain is applied on graphene. Our theoretical calculations show that the edge (armchair or zigzag) of graphene nanoribbons (GNRs) and graphene quantum dots (GQDs) can be synthetically controlled by (a) experimental conditions which allow the oxidation of graphene to occur on either one or both sides of the graphene sheet and (b) engineering the strain on the graphene sheet.

AB - Density-functional theory (DFT) calculations reveal that the formation of an armchair epoxy chain on a graphene sheet is energetically favorable when oxidation occurred on both sides of the graphene sheet. However, the formation of a zigzag epoxy chain is favorable when oxidation occurred on the same side of the graphene sheet. In addition, the zigzag epoxy chain formation on the graphene sheet becomes energetically more favorable when external strain is applied on graphene. Our theoretical calculations show that the edge (armchair or zigzag) of graphene nanoribbons (GNRs) and graphene quantum dots (GQDs) can be synthetically controlled by (a) experimental conditions which allow the oxidation of graphene to occur on either one or both sides of the graphene sheet and (b) engineering the strain on the graphene sheet.

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Controlling armchair and zigzag edges in oxidative cutting of graphene

Abstract

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