"Narrow" Graphene Nanoribbons Made Easier by Partial Hydrogenation

Abstract

It is a challenge to synthesize graphene nanoribbons (GNRs) with narrow widths and smooth edges in large scale. Our first principles study on the hydrogenation of GNRs shows that the hydrogenation starts from the edges of GNRs and proceeds gradually toward the middle of the GNRs so as to maximize the number of carbon-carbon $\pi$-$\pi$ bonds. Furthermore, the partially hydrogenated wide GNRs have similar electronic and magnetic properties as those of narrow GNRs. Therefore, it is not necessary to directly produce narrow GNRs for realistic applications because partial hydrogenation could make wide GNRs "narrower".

References in corpus (12)

• The electronic properties of graphene
• Energy Band Gap Engineering of Graphene Nanoribbons
• Half-Metallic Graphene Nanoribbons
• Control of graphene's properties by reversible hydrogenation
• Graphane: a two-dimensional hydrocarbon
• The Alloy Theoretic Automated Toolkit: A User Guide
• Graphene Nano-Ribbon Electronics
• Room Temperature All Semiconducting sub-10nm Graphene Nanoribbon Field-Effect Transistors
• Hydrogen on graphene: Electronic structure, total energy, structural distortions, and magnetism from first-principles calculations
• Half-metallic graphene nanodots
• Quantum Manifestations of Graphene Edge Stress and Edge Instability: A First-Principles Study
• Chemical functionalization on planar polysilane and graphane

Cited by in corpus (14)

• Mechanical and Electronic Properties of MoS${}_2$ Nanoribbons and Their Defects
• Electronic properties of mesoscopic graphene structures: charge confinement and control of spin and charge transport
• Predicting Two-Dimensional Boron-Carbon Compounds by the Global Optimization Method
• Electronic properties of gated triangular graphene quantum dots: Magnetism, correlations, and geometrical effects
• Formation of Hydrogenated Graphene Nanoripples by Strain Engineering and Directed Surface Self-assembly
• Ordered Semiconducting Nitrogen-Graphene Alloys
• Two-dimensional Graphene Superlattice Made with Partial Hydrogenation
• A molecular simulation analysis of producing monatomic carbon chains by stretching ultranarrow graphene nanoribbons
• Kondo effect of cobalt adatom on zigzag graphene nanoribbon
• Graphene Nanoribbon as an Elastic Damper
• First-principles modeling of the polycyclic aromatic hydrocarbons reduction
• A Comprehensive Model of Nitrogen-Free Ordered Carbon Quantum Dots
• Repair of magnetism in oxidized graphene nanoribbons
• Electron Confinement Induced by Diluted Hydrogen-like Ad-atoms in Graphene Ribbons