A porous nanotube network structure of metallic carbon

Abstract

A porous nanotube network structure of carbon allotrope was designed, denoted as P4/mmm C96. Besides its structure similar to carbon nanotubes, the most interesting thing about P4/mmm C96 is that its band structure is metallic. The shear modulus G, Young’s modulus E, and bulk modulus B of P4/mmm C96 is 49.4 GPa, 128.6 GPa, and 107.8 GPa, respectively. Although the elastic modulus of P4/mmm C96 is low, it is still larger than other carbon allotropes, such as TY-II carbon, TY carbon, fcc-C10, Y carbon, Y-II carbon. The elastic anisotropy in shear modulus G, Poisson’s ratio v, and Young’s modulus E of P4/mmm C96 are larger than that of other C96 carbon allotropes, Finally, the elastic anisotropy of shear modulus of P4/mmm C96 in (100) plane is the greatest, the elastic anisotropy of E of P4/mmm C96 in (001) plane is the largest, while the elastic anisotropy in v in (001) plane is the greatest.

Keywords

• Porous structure
• Nanotube network
• Metallic carbon
• First principles calculation