Covalent three-dimensional carbon nanotube and derived B-C-N polymorphs with superhardness and zero Poisson's ratio.

ABSTRACT: Carbon is one of the most versatile atoms and fosters a wealth of carbon allotropes with superior mechanical and electronic properties. A three-dimensional covalent carbon nanotube, named CCN, with a hexagonal honeycomb-like crystalline structure is proposed theoretically. CCN consists of sp ³ bonded coaxially teamed (6,0) carbon nanotubes, and the tube walls possess intrinsic wrinkles, which trigger miraculous physical properties. The mechanical and thermal dynamic stabilities are confirmed, and molecular dynamics simulations indicate high temperature thermal stability up to 1500 K. CCN has an unusual cork-like zero Poisson's ratio along the axial direction of the nanotubes, and the axial/radial stretching or compression rarely effects the radial/axial dimensions of the

SUBMITTER: Chen S 

PROVIDER: S-EPMC9700005 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature