# Electron and phonon transport in twisted graphene nanoribbons

## TL;DR

This paper investigates how torsional deformations affect electrical, thermal, and thermoelectric transport in graphene nanoribbons using advanced theoretical models.

## Contribution

It introduces a comprehensive theoretical framework combining nonequilibrium Green's functions with ab-initio and empirical methods to analyze twisted graphene nanoribbons.

## Key findings

- Twisting alters electron eigenchannels and phonon transmission.
- Different twist configurations impact thermoelectric efficiency.
- Transport properties are sensitive to the type and angle of deformation.

## Abstract

We theoretically study the electrical, thermal and thermoelectric transport properties of graphene nanoribbons under torsional deformations. The modelling follows a nonequilibrium Green's function approach in the ballistic transport regime, describing the electrical and phononic properties through \textit{ab-initio} density functional theory and empirical interatomic potentials, respectively. We consider two different types of deformations, a continuous twist of a given angle applied to the nanoribbon, and two consecutive twists applied in opposite angular directions. The numerical results are carefully analysed in terms of spatially-resolved electron eigenchannels, polarization-dependent phonon transmission and thermoelectric figure-of-merit.