Atomistic understanding of the anisotropic tensile response and zero-stiffness of carbon honeycomb nanostructure

References

• Karfunkel HR, Dressler T. New hypothetical carbon allotropes of remarkable stability estimated by MNDO solid-state SCF computations. J Am Chem Soc. 1992;114:2285–2288
   Web of Science ®Google Scholar
• Krainyukova NV, Zubarev EN. Carbon honeycomb high capacity storage for gaseous and liquid species. Phys Rev Lett. 2016;116:055501.
   PubMed Web of Science ®Google Scholar
• Wang S, Wu D, Yang B, et al. Semimetallic carbon honeycombs: new three-dimensional graphene allotropes with Dirac cones. Nanoscale. 2018;10:2748–2754.
   PubMed Web of Science ®Google Scholar
• Gu X, Pang Z, Wei Y, et al. On the influence of junction structures on the mechanical and thermal properties of carbon honeycombs. Carbon N Y. 2017;119:278–286.
   Web of Science ®Google Scholar
• Qin Q, An H, He C, et al. Anisotropic and temperature dependent mechanical properties of carbon honeycomb. Nanotechnology. 2019;30:325704.
   PubMed Web of Science ®Google Scholar
• Pang Z, Gu X, Wei Y, et al. Bottom-up design of three-dimensional carbon-honeycomb with superb specific strength and high thermal conductivity. Nano Lett. 2017;17:179–185.
   PubMed Web of Science ®Google Scholar
• Chen XK, Liu J, Du D, et al. Anisotropic thermal conductivity in carbon honeycomb. J Phys Condens Matter. 2018;30:155702.
   PubMed Web of Science ®Google Scholar
• Wei Z, Yang F, Bi K, et al. Thermal transport properties of all-sp2 three-dimensional graphene: anisotropy, size and pressure effects. Carbon N Y. 2017;113:212–218.
   Web of Science ®Google Scholar
• Hu J, Zhang X. Theoretical prediction of honeycomb carbon as Li-ion batteries anode material. Eur Phys J B. 2018;91:1–5.
   Web of Science ®Google Scholar
• Krainyukova NV. Capturing gases in carbon honeycomb. J Low Temp Phys. 2017;187:90–104.
   Web of Science ®Google Scholar
• Gao Y, Chen Y, Zhong C, et al. Electron and phonon properties and gas storage in carbon honeycombs. Nanoscale. 2016;8:12863–12868.
   PubMed Web of Science ®Google Scholar
• Zhou W, Xie H, Wang S, et al. A 3D porous honeycomb carbon as Na-ion battery anode material with high capacity, excellent rate performance, and robust stability. Carbon N Y. 2020;168:163–168.
   Web of Science ®Google Scholar
• Qin Q, Sun T, Wang H, et al. Adsorption and diffusion of hydrogen in carbon honeycomb. Nanomaterials. 2020;10:344.
   Web of Science ®Google Scholar
• Kuc A, Seifert G. Hexagon-preserving carbon foams: properties of hypothetical carbon allotropes. Phys Rev B. 2006;74:214104.
   Web of Science ®Google Scholar
• Zhang J, Wang C. Buckling of carbon honeycombs: A new mechanism for molecular mass transportation. J Phys Chem C. 2017;121:8196–8203.
   Web of Science ®Google Scholar
• Zhang Z, Kutana A, Yang Y, et al. Nanomechanics of carbon honeycomb cellular structures. Carbon N Y. 2017;113:26–32.
   Web of Science ®Google Scholar
• Yi L, Chang T, Feng X-Q, et al. Giant energy absorption capacity of graphene-based carbon honeycombs. Carbon N Y. 2017;118:348–357.
   Web of Science ®Google Scholar
• Shang JJ, Yang Q-S, Liu X, et al. Compressive deformation mechanism of honeycomb-like graphene aerogels. Carbon N Y. 2018;134:398–410.
   Web of Science ®Google Scholar
• Hu J, Wu W, Zhong C, et al. Three-dimensional honeycomb carbon: junction line distortion and novel emergent fermions. Carbon N Y. 2019;141:417–426.
   Web of Science ®Google Scholar
• Brenner DW, Shenderova OA, Harrison JA, et al. A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons. J Phys Condens Matter. 2002;14:783–802.
   Web of Science ®Google Scholar
• Wang MC, Yan C, Ma L, et al. Effect of defects on fracture strength of graphene sheets. Comput Mater Sci. 2012;54:236–239.
   Web of Science ®Google Scholar
• Meng F, Chen C, Hu D, et al. Deformation behaviors of three-dimensional graphene honeycombs under out-of-plane compression: Atomistic simulations and predictive modeling. J Mech Phys Solids. 2017;109:241–251.
   Web of Science ®Google Scholar
• Wang H, Cao Q, Peng Q, et al. Atomistic study of mechanical behaviors of carbon honeycombs. Nanomaterials. 2019;9:109.
   Web of Science ®Google Scholar
• Shenderova OA, Brenner DW, Omeltchenko A, et al. Atomistic modeling of the fracture of polycrystalline diamond. Phys Rev B. 2000;61:3877–3888.
   Web of Science ®Google Scholar
• Zhao H, Min K, Aluru NR. Size and chirality dependent elastic properties of graphene nanoribbons under uniaxial tension. Nano Lett. 2009;9:3012–3015.
   PubMed Web of Science ®Google Scholar
• Martyna GJ, Klein ML, Tuckerman M. Nosé–hoover chains: The canonical ensemble via continuous dynamics. J Chem Phys. 1992;97:2635–2643.
   Web of Science ®Google Scholar
• Nosé S. A unified formulation of the constant temperature molecular dynamics methods. J Chem Phys. 1984;81:511–519.
   Web of Science ®Google Scholar
• Xie L, An H, He C, et al. Mechanical properties of vacancy tuned carbon honeycomb. Nanomaterials. 2019;9:156.
   Web of Science ®Google Scholar
• Cao L, Fan F. Deformation and instability of three-dimensional graphene honeycombs under in-plane compression: Atomistic simulations. Extreme Mech Lett. 2020;39:100861.
   Web of Science ®Google Scholar
• Wang W, He C, Xie L, et al. The temperature-sensitive anisotropic negative poisson's ratio of carbon honeycomb. Nanomaterials. 2019;9:487.
   Web of Science ®Google Scholar
• Mortazavi B, Ostadhossein A, Rabczuk T, et al. Mechanical response of all-MoS2 single-layer heterostructures: a ReaxFF investigation. Phys Chem Chem Phys. 2016;18:23695–23701.
   PubMed Web of Science ®Google Scholar
• Sha ZD, Pei QX, Zhang YY, et al. Atomic vacancies significantly degrade the mechanical properties of phosphorene. Nanotechnology. 2016;27:315704.
   PubMed Web of Science ®Google Scholar
• Liu N, Hong JW, Pidaparti R, et al. Fracture patterns and the energy release rate of phosphorene. Nanoscale. 2016;8:5728–5736.
   PubMed Web of Science ®Google Scholar
• Liu B, Bai LC, Korznikova EA, et al. Thermal conductivity and tensile response of phosphorene nanosheets with vacancy defects. J Phys Chem C. 2017;121:13876–13887.
   Web of Science ®Google Scholar