Studying the electronic and phononic structure of new graphene allotrope: Penta-graphane

TL;DR

This paper introduces penta-graphane, a new graphene allotrope with hydrogen addition, and analyzes its electronic and phononic properties using computational methods.

Contribution

It presents the first study of penta-graphane's electronic and phononic structures, expanding the understanding of novel graphene derivatives.

Findings

Penta-graphane has distinct electronic properties from graphene.

The phononic structure reveals unique vibrational modes.

Computational analysis provides insights into potential applications.

Abstract

In this paper we introduce a new structure similar to the graphane which we call it penta graphane. This structure is obtained by adding hydrogen to penta graphene bond. We study the electronic and phononic structure of penta graphane. We firstly use with the generalized gradient approximation to compute the band structure.