Spin Channels in Functionalized Graphene Nanoribbons

TL;DR

This paper investigates how chemical functionalization affects the spin transport properties of graphene nanoribbons, revealing that edge states remain robust while bulk channels can be selectively suppressed, enabling high spin polarization.

Contribution

It provides a comprehensive first-principles analysis of how various chemical modifications influence spin conductance in graphene nanoribbons, highlighting potential for spintronic applications.

Findings

Edge metallic states are robust under various chemical environments.

Bulk conducting channels can be destroyed by hydrogenation or irradiation.

Devices can achieve near-unity spin conductance polarization.

Abstract

We characterize the transport properties of functionalized graphene nanoribbons using extensive first-principles calculations based on density functional theory (DFT) that encompass both monovalent and divalent ligands, hydrogenated defects and vacancies. We find that the edge metallic states are preserved under a variety of chemical environments, while bulk conducting channels can be easily destroyed by either hydrogenation or ion or electron beams, resulting in devices that can exhibit spin conductance polarization close to unity.