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.
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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 -