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Chemically Tuning Mechanics of Graphene by BN
Author(s) -
Peng Qing,
Chen XiaoJia,
Ji Wei,
De Suvranu
Publication year - 2013
Publication title -
advanced engineering materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.938
H-Index - 114
eISSN - 1527-2648
pISSN - 1438-1656
DOI - 10.1002/adem.201300033
Subject(s) - boron nitride , graphene , materials science , stiffness , monolayer , semiconductor , density functional theory , composite material , nanotechnology , condensed matter physics , optoelectronics , physics , quantum mechanics
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.