Repair of magnetism in oxidized graphene nanoribbons

TL;DR

This paper proposes a new method to restore magnetism in oxidized graphene nanoribbons by modeling hydroxyl group migration, revealing how edge chemistry influences magnetic properties and suggesting a manufacturing route.

Contribution

It introduces a novel approach to repair magnetism in oxidized graphene nanoribbons through hydroxyl group migration modeled by density functional theory.

Findings

Hydroxyl groups near edges create dangling bonds that restore magnetism.

Migration of hydroxyl groups can be controlled to repair magnetic properties.

A potential manufacturing process for magnetic graphene nanoribbons is discussed.

Abstract

Novel route for the establishing of magnetism in realistic oxidized graphene nanoribbons is proposed. Modelling of the migration of hydroxyl groups from central part to the zig-zag edges of graphene nanoribbons passivated by oxygen are performed with using density functional theory. The presence of hydroxyl groups near the edges leads formation of dangling bonds there instead saturated due to oxidation and repairs of magnetism diminished by edges oxidation. The route of manufacturing and stability of new type of magnetic graphene nanoribbons are also discussed.