期刊
NANOSCALE
卷 5, 期 2, 页码 695-703出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2nr32366d
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资金
- Defense Threat Reduction Agency (DTRA) [BRBAA08-C-2-0130]
- U.S. Nuclear Regulatory Commission Faculty Development Program [NRC-38-08-950]
- U.S. Department of Energy (DOE) Nuclear Energy University Program (NEUP) [DE-NE0000325]
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.
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