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Issue 2, 2013
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First-principles study of the effects of mechanical strains on the radiation hardness of hexagonal boron nitride monolayers

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Abstract

We investigate the strain effect on the radiation hardness of hexagonal boron nitride (h-BN) monolayers using density functional theory calculations. Both compressive and tensile strains are studied in elastic domains along the zigzag, armchair, and biaxial directions. We observe a reduction in radiation hardness to form boron and nitrogen monovacancies under all strains. The origin of this effect is the strain-induced reduction of the energy barrier to displace an atom. An implication of our results is the vulnerability of strained nanomaterials to radiation damage.

Graphical abstract: First-principles study of the effects of mechanical strains on the radiation hardness of hexagonal boron nitride monolayers

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Publication details

The article was received on 20 Aug 2012, accepted on 12 Nov 2012 and first published on 14 Nov 2012


Article type: Paper
DOI: 10.1039/C2NR32366D
Citation: Nanoscale, 2013,5, 695-703
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    First-principles study of the effects of mechanical strains on the radiation hardness of hexagonal boron nitride monolayers

    Q. Peng, W. Ji and S. De, Nanoscale, 2013, 5, 695
    DOI: 10.1039/C2NR32366D

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