期刊
ADVANCED ENGINEERING MATERIALS
卷 15, 期 8, 页码 718-727出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/adem.201300033
关键词
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资金
- Defense Threat Reduction Agency (DTRA) [BRBAA08-C-2-0130, HDTRA1-13-1-0025]
- U.S. Nuclear Regulatory Commission Faculty Development Program Grant [NRC-38-08-950]
- U.S. Department of Energy (DOE) Nuclear Energy University Program (NEUP) [DE-NE0000325]
With finite bandgaps, g-BNC, a boron nitride monolayer (g-BN) phase within a graphene layer, is a promising semiconductor for next generation electronics. We report its mechanics dependence of the g-BN concentration, including the high order elastic constants and mechanical failure, through a first-principles study based on density functional theory. The in-plane stiffness as well as third order elastic constants of graphene can be linearly tuned with g-BN concentration. The longitudinal mode elastic constants are sensitive to the BN modification, in contrast to the shear mode elastic constants. This study may provide guidance in optimizing the mechanics of graphene-based nanodevices.
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