Thermoelectric properties of disordered graphene antidot devices

TL;DR

This paper investigates how disorder affects the electronic and thermal transport in graphene antidot devices, proposing optimization strategies and comparing quantum thermal transport methods.

Contribution

It introduces an atomistic approach to study disordered GALs, exploring disorder effects and optimization routes for thermoelectric performance.

Findings

Disorder impacts electronic and thermal transport properties.

Optimization strategies can enhance thermoelectric efficiency.

Quantum thermal transport can be effectively modeled by molecular dynamics.

Abstract

We calculate the electronic and thermal transport properties of devices based on finite graphene antidot lattices (GALs) connected to perfect graphene leads. We use an atomistic approach based on the $\pi$-tight-binding model, the Brenner potential, and employing recursive Green's functions. We consider the effect of random disorder on the electronic and thermal transport properties, and examine the potential gain of thermoelectric merit by tailoring of the disorder. We propose several routes to optimize the transport properties of the GAL systems. Finally, we illustrate how quantum thermal transport can be addressed by molecular dynamics simulations, and compare to the Green's function results for the GAL systems in the ballistic limit.