Mechanical behavior of composite double wall nanotubes from carbon and phosphorous

TL;DR

This study investigates the mechanical behavior of composite double wall nanotubes combining black phosphorus and carbon nanotubes, revealing enhanced stability and unique responses under compression through molecular dynamics simulations.

Contribution

It introduces a new composite double wall nanotube structure from black phosphorus and carbon nanotubes, analyzing its stability and dynamic response.

Findings

Composite DWNTs resist rapid collapse under compression.

Embedding BPNT in CNT enhances stability even when damaged.

Temperature and configuration significantly affect mechanical response.

Abstract

Black phosphorus is not stable when it is exposed to air. When covered or terminated by single layer carbon atoms, such as graphene carbon nanotube, it is more strongly protected in the rapid degradation than the bare black phosphorus. Moreover, due to weak interaction between phosphorus atoms in black phosphorene, the nanotube obtained by curling single layer black phosphorus is not as stable as a carbon nanotube at finite temperature. In present work, we recommend a new 1D material, i.e., composite double wall nanotubes from a black phosphorus nanotube with a CNT. The dynamic response of the composite DWNTs is simulated using molecular dynamics approach. The effects of such factors as temperature, slenderness and configurations of DWNTs are discussed. Comparing with a single wall BPNT, the composite DWNTs under uniaxial compression shows some peculiar properties. When the BPNT is embedded in a CNT, the system will not collapse rapidly even if the BPNT has been damaged seriously.