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Issue 36, 2014
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Mechanical properties and fracture dynamics of silicene membranes

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Abstract

As graphene has become one of the most important materials, there is renewed interest in other similar structures. One example is silicene, the silicon analogue of graphene. It shares some of the remarkable graphene properties, such as the Dirac cone, but presents some distinct ones, such as a pronounced structural buckling. We have investigated, through density functional based tight-binding (DFTB), as well as reactive molecular dynamics (using ReaxFF), the mechanical properties of suspended single-layer silicene. We calculated the elastic constants, analyzed the fracture patterns and edge reconstructions. We also addressed the stress distributions, unbuckling mechanisms and the fracture dependence on the temperature. We analysed the differences due to distinct edge morphologies, namely zigzag and armchair.

Graphical abstract: Mechanical properties and fracture dynamics of silicene membranes

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Publication details

The article was received on 02 Jul 2014, accepted on 31 Jul 2014 and first published on 01 Aug 2014


Article type: Paper
DOI: 10.1039/C4CP02902J
Author version available: Download Author version (PDF)
Citation: Phys. Chem. Chem. Phys., 2014,16, 19417-19423
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    Mechanical properties and fracture dynamics of silicene membranes

    T. Botari, E. Perim, P. A. S. Autreto, A. C. T. van Duin, R. Paupitz and D. S. Galvao, Phys. Chem. Chem. Phys., 2014, 16, 19417
    DOI: 10.1039/C4CP02902J

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