Influence of surface chemistry on the electronic properties of graphene related carbon materials

TL;DR

This paper uses theoretical methods to explore how organic functional groups and stacking conformations affect the electronic properties of graphene-related carbon materials, guiding the design of better conducting devices.

Contribution

It demonstrates that surface chemistry and stacking conformation engineering can optimize the electronic properties of graphene-based materials for supramolecular devices.

Findings

Surface chemistry significantly influences electronic properties.

Stacking conformation engineering enhances conductivity.

Optimal candidates for devices identified through theoretical modeling.

Abstract

A theoretical study on the influence of organic functional groups on the electronic properties of graphene related carbon materials was carried out. Here we report, using density functional theory and tight-binding approach, that the best candidates for conducting supramolecular devices can be obtained by engineering the surface chemistry and stacking conformation of these materials.