Influence of vacancies on the elastic properties of a graphene sheet

► Atomic vacancies in a graphene sheet significantly influence its elastic properties. ► The number (density) of vacancies largely influences the sheet elastic modulus. ► The vacancy position is highly influential for shear modulus and Poisson’s ratio. ► Vacancies located in a zone of large strain g...

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Veröffentlicht in:Computational materials science 2012-04, Vol.55, p.255-262
Hauptverfasser: Tapia, A., Peón-Escalante, R., Villanueva, C., Avilés, F.
Format: Artikel
Sprache:eng
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Zusammenfassung:► Atomic vacancies in a graphene sheet significantly influence its elastic properties. ► The number (density) of vacancies largely influences the sheet elastic modulus. ► The vacancy position is highly influential for shear modulus and Poisson’s ratio. ► Vacancies located in a zone of large strain gradients are more influential. The influence of vacancies on the elastic properties of a single-layer graphene sheet is investigated using atomistic finite element analysis. The location and density of vacancies (vacancy number per unit area of graphene sheet) are the main parameters investigated. It is found that a single vacancy yields only a minor reduction on the effective elastic modulus of the graphene sheet, irrespective of its position in the sheet, but this elastic parameter is significantly reduced as the number of vacancies increases. The position of the vacancy significantly influences the shear modulus and Poisson’s ratio of the sheet. The reduction in shear modulus and Poisson’s ratio is more pronounced when the vacancy is in a region of large strain gradients.
ISSN:0927-0256
1879-0801
DOI:10.1016/j.commatsci.2011.12.013