Auxeticity of monolayer, few-layer, vdW heterostructure and ribbon penta-graphene

Viet Hung Ho, Duc Tam Ho, Won Ho Shin, Sung Youb Kim*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Downloads (Pure)

Abstract

Using molecular statics simulations, we specifically focus on investigating the negative Poisson's ratio of the monolayer, few-layer, van der Waals, and ribbon penta-graphene. As a result, we provide evidence to show that the Poisson's ratio is the combination of bond stretching and angle rotating mechanism. The auxeticity of monolayer penta-graphene is due to the dominance of bond stretching. However, the significant effect of the angle rotating mechanism causes the enhancement of the in-plane Poisson's ratio of few-layer penta-graphene. Furthermore, the elongation of interlayer bonds results in a negative out-of-plane Poisson's ratio in few-layer penta-graphene. The strong dependence of Poisson's ratio on stacking configuration and number of layers was found. We also show that the van der Waals interaction slightly enhances the auxeticity of heterostructure penta-graphene. Finally, we discuss the significant effects of warped edges on the auxeticity of penta-graphene ribbons.
Original languageEnglish
Pages (from-to)4528-4541
Number of pages14
JournalPhysical Chemistry Chemical Physics
Volume25
Issue number6
Early online date3 Jan 2023
DOIs
Publication statusPublished - 14 Feb 2023

Fingerprint

Dive into the research topics of 'Auxeticity of monolayer, few-layer, vdW heterostructure and ribbon penta-graphene'. Together they form a unique fingerprint.

Cite this