Mechanical Properties of Penta-Graphene Nanotubes

Abstract

Penta-graphene is the name given to a novel puckered monolayer of carbon atoms tightly packed into an inerratic pentagonal network, theoretically, which exhibits excellent thermal and mechanical stability and can be rolled into penta-graphene nanotubes (PGNTs). Herein, we perform the first simulation study of mechanical properties of PGNTs under uniaxial tension. In addition to comparable mechanical properties with that of carbon nanotubes (CNT), it is found that PGNTs possess promising extensibility with typical plastic behavior due to the irreversible pentagon-to-polygon structural transformation and the hexagon carbon ring becomes the dominating structural motif after the transformation. The plastic characteristic of PGNTs is inherent with strain-rate and tube-diameter independences. Moreover, within ultimate temperature (T<1100 K), tensile deformed PGNTs manifest similar phase transition with an approximate transition ratio from pentagon to hexagon. The intrinsic insight provides a fundamental understanding of mechanic properties of PGNTs, which should open up a novel perspective for the design of plastic carbon-based nanomaterials.

arXiv comment5 figures, The Journal of Physical Chemistry C, published, 2017

References in corpus (2)

• Graphene: Status and Prospects
• From Brittle to Ductile: A Structure Dependent Ductility of Diamond Nanothread

Cited by in corpus (4)

• Tight-binding model for opto-electronic properties of penta-graphene nanostructures
• Symmetry-protected metallic and topological phases in penta-materials
• Thermal conduction of one-dimensional carbon nanomaterials and nanoarchitectures
• Atomistic Computational Modeling of Temperature Effects in Fracture Toughness and Degradation of Penta-graphene Monolayer