Nano-Stitching of Graphene Bilayers: A First-Principles Study

TL;DR

This study introduces a nano-stitching technique to modify graphene bilayers, resulting in new stable carbon allotropes called wormhole graphene with promising electronic properties and potential applications as nano-capsules.

Contribution

It presents a novel nano-stitching method to create and analyze new graphene-based allotropes with unique structures and stability using first-principles calculations.

Findings

Wormhole graphene allotropes are more stable than graphdiyne.

All allotropes are dynamically stable.

Potential use as nano-capsules for magnetic atoms or clusters.

Abstract

A nano-stitching method is proposed and investigated to modify graphene bilayers. Based this method, four types of low energy carbon allotropes, "wormhole graphene" allotropoes, are obtained and their structures, stabilities and electronic properties are investigated using first principles methods. We find that all of these wormhole graphene allotropoes are more favorable than graphdiyne and dynamically stable. Similar to carbon nanotubes and fullerences, these graphene allotropes are expected to act as two-dimensional periodic nano-capsules for encapsulating magnetic atoms or functional clusters for a variety of applications.