Nanoscale fracture in graphene

Sachin S. Terdalkar; Shan Huang; Hongyan Yuan; Joseph J. Rencis; Ting Zhu; Sulin Zhang

doi:10.1016/j.cplett.2010.05.090

Nanoscale fracture in graphene

Sachin S. Terdalkar, Shan Huang, Hongyan Yuan, Joseph J. Rencis, Ting Zhu, Sulin Zhang

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

119 Scopus citations

Abstract

Fracture of a monolayer graphene is governed by the competition between bond breaking and bond rotation at a crack tip. Using atomistic reaction pathway calculations, we identify a kinetically favorable fracture path that features an alternating sequence of bond rotation and bond breaking. Our results suggest that the mechanical cracking can create fracture edges with nanoscale morphologies due to the non-uniform bond deformation and rupture induced by the localized high stresses near the crack tip. Such fractured edges may provide a structural basis of tailoring the electronic properties of graphene either intrinsically or by further edge functionalization.

Original language	English (US)
Pages (from-to)	218-222
Number of pages	5
Journal	Chemical Physics Letters
Volume	494
Issue number	4-6
DOIs	https://doi.org/10.1016/j.cplett.2010.05.090
State	Published - Jul 19 2010

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

Access to Document

10.1016/j.cplett.2010.05.090

Cite this

@article{b4f71d96b82940b795a6d3e2cbe8db0f,

title = "Nanoscale fracture in graphene",

abstract = "Fracture of a monolayer graphene is governed by the competition between bond breaking and bond rotation at a crack tip. Using atomistic reaction pathway calculations, we identify a kinetically favorable fracture path that features an alternating sequence of bond rotation and bond breaking. Our results suggest that the mechanical cracking can create fracture edges with nanoscale morphologies due to the non-uniform bond deformation and rupture induced by the localized high stresses near the crack tip. Such fractured edges may provide a structural basis of tailoring the electronic properties of graphene either intrinsically or by further edge functionalization.",

author = "Terdalkar, {Sachin S.} and Shan Huang and Hongyan Yuan and Rencis, {Joseph J.} and Ting Zhu and Sulin Zhang",

note = "Funding Information: S.L.Z. acknowledges the support from the National Science Foundation (NSF) Grants CMMI-0826841 and 0600642. T.Z. acknowledges the support of the NSF Grant CMMI-0758554. ",

year = "2010",

month = jul,

day = "19",

doi = "10.1016/j.cplett.2010.05.090",

language = "English (US)",

volume = "494",

pages = "218--222",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "4-6",

}

TY - JOUR

T1 - Nanoscale fracture in graphene

AU - Terdalkar, Sachin S.

AU - Huang, Shan

AU - Yuan, Hongyan

AU - Rencis, Joseph J.

AU - Zhu, Ting

AU - Zhang, Sulin

N1 - Funding Information: S.L.Z. acknowledges the support from the National Science Foundation (NSF) Grants CMMI-0826841 and 0600642. T.Z. acknowledges the support of the NSF Grant CMMI-0758554.

PY - 2010/7/19

Y1 - 2010/7/19

N2 - Fracture of a monolayer graphene is governed by the competition between bond breaking and bond rotation at a crack tip. Using atomistic reaction pathway calculations, we identify a kinetically favorable fracture path that features an alternating sequence of bond rotation and bond breaking. Our results suggest that the mechanical cracking can create fracture edges with nanoscale morphologies due to the non-uniform bond deformation and rupture induced by the localized high stresses near the crack tip. Such fractured edges may provide a structural basis of tailoring the electronic properties of graphene either intrinsically or by further edge functionalization.

AB - Fracture of a monolayer graphene is governed by the competition between bond breaking and bond rotation at a crack tip. Using atomistic reaction pathway calculations, we identify a kinetically favorable fracture path that features an alternating sequence of bond rotation and bond breaking. Our results suggest that the mechanical cracking can create fracture edges with nanoscale morphologies due to the non-uniform bond deformation and rupture induced by the localized high stresses near the crack tip. Such fractured edges may provide a structural basis of tailoring the electronic properties of graphene either intrinsically or by further edge functionalization.

UR - http://www.scopus.com/inward/record.url?scp=77955307797&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77955307797&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2010.05.090

DO - 10.1016/j.cplett.2010.05.090

M3 - Article

AN - SCOPUS:77955307797

SN - 0009-2614

VL - 494

SP - 218

EP - 222

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4-6

ER -

Nanoscale fracture in graphene

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this