Inducing extended line defects in graphene by linear adsorption of C and N atoms

Yu Li; Rui-Qin Zhang; Zijing Lin; Michel A. Van Hove

doi:10.1063/1.4772212

Inducing extended line defects in graphene by linear adsorption of C and N atoms

Yu Li, Rui-Qin Zhang^*, Zijing Lin, Michel A. Van Hove

^*Corresponding author for this work

Research output: Contribution to journal › Journal article › peer-review

8 Citations (Scopus)

30 Downloads (Pure)

Abstract

We propose a possible approach for controlled formation of various 585 (containing pentagonal and octagonal carbon rings) extended line defects (ELDs) by linear adsorption of various kinds of atoms (C, N, B, O) on a graphene substrate, based upon density functional theory and molecular-dynamics (MD) simulations. We find out that the C and N atoms spontaneously transform to 585 ELDs while other elements find specific stable configurations. To confirm the feasibility of forming the ELD from line adsorption, investigation of the critical transformation conditions of the 585 ELD is involved based upon various adsorption models and adsorption densities.

Original language	English
Article number	253105
Journal	Applied Physics Letters
Volume	101
Issue number	25
DOIs	https://doi.org/10.1063/1.4772212
Publication status	Published - 17 Dec 2012

Scopus Subject Areas

Physics and Astronomy (miscellaneous)

Access to Document

10.1063/1.4772212

Full TextFinal published version, 974 KB

Cite this

@article{2ec8a630657d42179bd3084c506dc8d0,

title = "Inducing extended line defects in graphene by linear adsorption of C and N atoms",

abstract = "We propose a possible approach for controlled formation of various 585 (containing pentagonal and octagonal carbon rings) extended line defects (ELDs) by linear adsorption of various kinds of atoms (C, N, B, O) on a graphene substrate, based upon density functional theory and molecular-dynamics (MD) simulations. We find out that the C and N atoms spontaneously transform to 585 ELDs while other elements find specific stable configurations. To confirm the feasibility of forming the ELD from line adsorption, investigation of the critical transformation conditions of the 585 ELD is involved based upon various adsorption models and adsorption densities.",

author = "Yu Li and Rui-Qin Zhang and Zijing Lin and {Van Hove}, {Michel A.}",

note = "Funding Information: The work described in this paper was supported in part by a grant from the Research Grants Council of Hong Kong SAR [Project No. CityU 103511], by the State Key Development Program for Basic Research of China (Grant No. 2012CB215405), by the National Natural Science Foundation of China (Grant No. 11074233), and by the High Performance Cluster Computing Centre, Hong Kong Baptist University, which receives funding from Research Grants Council, University Grants Committee of the HKSAR, and Hong Kong Baptist University.",

year = "2012",

month = dec,

day = "17",

doi = "10.1063/1.4772212",

language = "English",

volume = "101",

journal = "Applied Physics Letters",

issn = "0003-6951",

publisher = "American Institute of Physics",

number = "25",

}

TY - JOUR

T1 - Inducing extended line defects in graphene by linear adsorption of C and N atoms

AU - Li, Yu

AU - Zhang, Rui-Qin

AU - Lin, Zijing

AU - Van Hove, Michel A.

N1 - Funding Information: The work described in this paper was supported in part by a grant from the Research Grants Council of Hong Kong SAR [Project No. CityU 103511], by the State Key Development Program for Basic Research of China (Grant No. 2012CB215405), by the National Natural Science Foundation of China (Grant No. 11074233), and by the High Performance Cluster Computing Centre, Hong Kong Baptist University, which receives funding from Research Grants Council, University Grants Committee of the HKSAR, and Hong Kong Baptist University.

PY - 2012/12/17

Y1 - 2012/12/17

N2 - We propose a possible approach for controlled formation of various 585 (containing pentagonal and octagonal carbon rings) extended line defects (ELDs) by linear adsorption of various kinds of atoms (C, N, B, O) on a graphene substrate, based upon density functional theory and molecular-dynamics (MD) simulations. We find out that the C and N atoms spontaneously transform to 585 ELDs while other elements find specific stable configurations. To confirm the feasibility of forming the ELD from line adsorption, investigation of the critical transformation conditions of the 585 ELD is involved based upon various adsorption models and adsorption densities.

AB - We propose a possible approach for controlled formation of various 585 (containing pentagonal and octagonal carbon rings) extended line defects (ELDs) by linear adsorption of various kinds of atoms (C, N, B, O) on a graphene substrate, based upon density functional theory and molecular-dynamics (MD) simulations. We find out that the C and N atoms spontaneously transform to 585 ELDs while other elements find specific stable configurations. To confirm the feasibility of forming the ELD from line adsorption, investigation of the critical transformation conditions of the 585 ELD is involved based upon various adsorption models and adsorption densities.

UR - http://www.scopus.com/inward/record.url?scp=84871788603&partnerID=8YFLogxK

U2 - 10.1063/1.4772212

DO - 10.1063/1.4772212

M3 - Journal article

AN - SCOPUS:84871788603

SN - 0003-6951

VL - 101

JO - Applied Physics Letters

JF - Applied Physics Letters

IS - 25

M1 - 253105

ER -

Inducing extended line defects in graphene by linear adsorption of C and N atoms

Abstract

Scopus Subject Areas

Access to Document

Other files and links

Fingerprint

Cite this