Nanoscale fracture in graphene

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

Research output: Contribution to journalArticle

99 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 languageEnglish (US)
Pages (from-to)218-222
Number of pages5
JournalChemical Physics Letters
Volume494
Issue number4-6
DOIs
StatePublished - Jul 19 2010

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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    Terdalkar, S. S., Huang, S., Yuan, H., Rencis, J. J., Zhu, T., & Zhang, S. (2010). Nanoscale fracture in graphene. Chemical Physics Letters, 494(4-6), 218-222. https://doi.org/10.1016/j.cplett.2010.05.090