Effect of pore-size disorder on the electronic properties of semiconducting graphene nanomeshes

TL;DR

This study investigates how pore-size disorder affects the electronic properties of graphene nanomeshes, revealing that disorder reduces the bandgap and carrier velocity but GNMs remain promising for transistor applications.

Contribution

The paper provides a detailed computational analysis of the impact of pore-size disorder on GNM electronic properties, including effects of different passivations.

Findings

Disorder reduces the electronic bandgap.

Carrier group velocity decreases with disorder.

Passivation type has minimal effect on bandgap trend.

Abstract

Graphene nanomeshes (GNMs) are novel materials that recently raised a lot of interest. They are fabricated by forming a lattice of pores in graphene. Depending on the pore size and pore lattice constant, GNMs can be either semimetallic or semiconducting with a gap large enough (0.5 eV) to be considered for transistor applications. The fabrication process is bound to produce some structural disorder due to variations in pore sizes. Recent electronic transport measurements in GNM devices (ACS Appl. Mater. Interfaces 10, 10362, 2018) show a degradation of their bandgap in devices having pore-size disorder. It is therefore important to understand the effect of such variability on the electronic properties of semiconducting GNMs. In this work we use the density functional-based tight binding formalism to calculate the electronic properties of GNM structures with different pore sizes, pore densities, and with hydrogen and oxygen pore edge passivations. We find that structural disorder reduces the electronic gap and the carrier group velocity, which may interpret recent transport measurements in GNM devices. Furthermore the trend of the bandgap with structural disorder is not significantly affected by the change in pore edge passivation. Our results show that even with structural disorder, GNMs are still attractive from a transistor device perspective.