Theoretical Calculation of Shrinking and Stretching in Bond Structure of Monolayer Graphite Flake via Hole Doping Treatment

TL;DR

This paper presents a theoretical analysis of how hole doping affects the bond structure and mechanical properties of monolayer graphite, highlighting the significant role of doping in structural modifications.

Contribution

It introduces a theoretical method to calculate bond length changes in monolayer graphite due to hole doping, extending previous electronic structure studies.

Findings

Doped holes significantly alter bond lengths in monolayer graphite.

Bond structure changes increase with higher hole doping levels.

Hole doping impacts both electronic and structural properties of monolayer graphite.

Abstract

This paper deals with the physics of monolayer graphite, with a particular focus on the electronics and structural properties. In contrast to the previous electronic band structure of doped single-walled carbon nanotube calculation, where just a ballistic graphite plate is considered, here for the carbon bonds length alteration is calculated in terms of hole doping. It is found that doped holes play crucial roles on the bond structure compared to that obtained no doping configurations and it changes as hole doping increasing.