Chiral graphene nanoribbonMechanical properties of grapheneDensity functional theoryEdge disorderUsing density functional theory (DFT), we investigate mechanical properties and failure characteristics of chiral and achiral graphene nanoribbons. Specifically, we study the dependence of maximum strength, Young's ...
In this paper, we investigate, by molecular dynamics simulations, the mechanical properties of a new carbon nanostructure, termed graphene nanochain, constructed by sewing up pristine or twisted graphene nanoribbons (GNRs) and interlocking the obtained nanorings. The obtained tensile strength of defect-...
Strain engineering of GNRs is demonstrated to be promising for modulating the properties of GNRs toward potential device applications.doi:10.1002/adma.201570014ChangxinChenJustinZacharyWuKaiTakLamGuosongHongWiley-BlackwellAdvanced MaterialsGraphene Nanoribbons Under Mechanical Strain[J] . Changxin Chen,Justin ...
Atomically thin boron nitride (BN) nanosheets are important two-dimensional nanomaterials with many unique properties distinct from those of graphene, but investigation into their mechanical properties remains incomplete. Here we report that high-quality
Deleuze MS, Huzak M, Hajgató B (2013) Half-metallicity of graphene nanoribbons and related systems: a new quantum mechanical el dorado for nanotechnologies… or a hype for materials scientists? J Mol Model 19:2699–2714Deleuze MS, Huzak M, Hajgato B (2013) Half-metallicity of graphene ...
torsional propertiesthermal conductivityMolecular dynamics method was used to simulate the twists of four GNRs (graphene nanoribbons), two AGNRs (armchair GNRs), and two ZGNRs (zigzag GNRs). Thermal conductivity of the length-fixing GNRs under torsion and at high temperature was calculated. It is...
Graphene annulus possesses special wrinkling phenomenon with wide range of potential applications. Using molecular dynamics simulation, this study concerns the effect of boundary on the mechanical properties of circular and elliptical graphene annuli under circular shearing at inner edge. Both the wrinkle ...
Deleuze MS, Huzak M, Hajgató B (2013) Half-metallicity of graphene nanoribbons and related systems: a new quantum mechanical el dorado for nanotechnologies… or a hype for materials scientists? J Mol Model 19:2699–2714Deleuze, M. S.; Huzak, M.; Hajgato,́ B. Half-Metallicity of ...
Herein we attempted to achieve a comprehensive improvement of mechanical properties of carbon nanomaterials (CNMs) reinforced Cu matrix composites by means of reinforcement structure construction and interface structure optimization. Graphene oxide (GO) and acid-treated carbon nanotubes (AT-CNTs) were self...
Atomistic simulations of mechanical properties of graphene nanoribbons The mechanical behavior of graphene nanoribbons (GNRs) was investigated by molecular dynamics (MD) simulations. The simulation results showed that GNRs beh... B Hao,Y Chen,M Zou,... - 《Physics Letters A》 被引量: 163发表: ...