A Complete Energy Model for Graphene Flake Growth with the Fewest Possible Dangling Bonds

TL;DR

This paper introduces a new energy model for predicting graphene flake growth with high accuracy and minimal dangling bonds.

Contribution

A novel energy model for graphene flake growth with high accuracy and minimal dangling bonds is introduced.

Findings

The model accurately calculates binding energy for diverse graphene flakes.

The model has a deviation error of about 2–3% in predictions.

The model could replace conventional Monte Carlo simulation methods for graphene growth studies.

Abstract

This work presents a complete energy model for graphene flakes’ growth with the fewest possible dangling bonds. The model is based on a simple equation that describes the binding energy of graphene flakes consisting of up to 10,000 carbon atoms. Moreover, we demonstrate that the model can accurately calculate the binding energy of a topologically and geometrically diverse array of graphene flakes. According to our calculations, the model can predict the binding energy of a graphene flake with a deviation error of about 2–3%. Hence, we envision that the complete energy model for graphene flakes presented here could be utilized as a novel alternative to conventional Monte Carlo simulation methods used to study graphene growth.

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