The structure and magnetism of graphone

Abstract

Graphone is a half-hydrogenated graphene. The structure of graphone is illustrated as trigonal adsorption of hydrogen atoms on graphene at first. However, we found the trigonal adsorption is unstable. We present an illustration in detail to explain how a trigonal adsorption geometry evolves into a rectangular adsorption geometry. We check the change of magnetism during the evolution of geometry by evaluating the spin polarization of the intermediate geometries. We prove and clarify that the rectangular adsorption of hydrogen atoms on graphene is the most stable geometry of graphone and graphone is actually antiferromagnetic.

11 pages, 4 figures

References in corpus (7)

• Electric Field Effect in Atomically Thin Carbon Films
• Graphene: Status and Prospects
• Control of graphene's properties by reversible hydrogenation
• Reversible Fluorination of Graphene: towards a Two-Dimensional Wide Bandgap Semiconductor
• Understanding adsorption of hydrogen atoms on graphene
• Graphene to Graphane: A Theoretical Study
• Magnetization of Graphane by Dehydrogenation

Cited by in corpus (3)

• Valley-polarized quantum anomalous Hall phases and tunable topological phase transitions in half-hydrogenated Bi honeycomb monolayers
• Ferromagnetism and superconductivity with possible $p+ip$ pairing symmetry in partially hydrogenated graphene
• Assessment of approaches for dispersive forces employing graphone as a case study