Clar's Theory, STM Images, and Geometry of Graphene Nanoribbons

Abstract

We show that Clar's theory of the aromatic sextet is a simple and powerful tool to predict the stability, the π-electron distribution, the geometry, the electronic/magnetic structure of graphene nanoribbons with different hydrogen edge terminations. We use density functional theory to obtain the equilibrium atomic positions, simulated scanning tunneling microscopy (STM) images, edge energies, band gaps, and edge-induced strains of graphene ribbons that we analyze in terms of Clar formulas. Based on their Clar representation, we propose a classification scheme for graphene ribbons that groups configurations with similar bond length alternations, STM patterns, and Raman spectra. Our simulations show how STM images and Raman spectra can be used to identify the type of edge termination.

References in corpus (27)

• Electric Field Effect in Atomically Thin Carbon Films
• The electronic properties of graphene
• The Raman Fingerprint of Graphene
• Ultrahigh electron mobility in suspended graphene
• Energy Band Gap Engineering of Graphene Nanoribbons
• Energy Gaps in Graphene Nanoribbons
• Half-Metallic Graphene Nanoribbons
• Giant Intrinsic Carrier Mobilities in Graphene and Its Bilayer
• Graphene Nano-Ribbon Electronics
• Room Temperature All Semiconducting sub-10nm Graphene Nanoribbon Field-Effect Transistors
• Tailoring the atomic structure of graphene nanoribbons by STM lithography
• Magnetism in graphene nano-islands
• Peculiar Width Dependence of the Electronic Property of Carbon Nanoribbons
• Magnetic Correlations at Graphene Edges
• Phase Coherent Transport of Charges in Graphene Quantum Billiard
• Defect scattering in graphene
• Structure, Stability, Edge States and Aromaticity of Graphene Ribbons
• Crystallographic Etching of Few-Layer Graphene
• Anisotropic Etching and Nanoribbon Formation in Single-Layer Graphene
• Edge state on hydrogen-terminated graphite edges investigated by scanning tunneling microscopy
• Electron states of mono- and bilayer graphene on SiC probed by STM
• Half-metallic graphene nanodots
• Electronic Ground State of Higher Acenes
• Edge chirality determination of graphene by Raman spectroscopy
• Quasiparticle Chirality in Epitaxial Graphene Probed at the Nanometer Scale
• Competition between spin and charge polarized states in nanographene ribbons with zigzag edges
• Molecular circuits based on graphene nano-ribbon junctions

Cited by in corpus (12)

• Experimentally Engineering the Edge Termination of Graphene Nanoribbons
• Electronic Structures of N-doped Graphene with Native Point Defects
• A Chemical Route to Graphene for Electronics and Spintronics Device Applications
• Electronic Structure of Large-Scale Graphene Nanoflakes
• Ab initio quantum transport through armchair graphene nanoribbons: Streamlines in the current density
• Band Gap of Atomically Precise Graphene Nanoribbons as a Function of Ribbon Length and Termination
• Silicene nanoribbons on an insulating thin film
• Hydrogen Atoms on Zigzag Graphene Nanoribbons: Chemistry and Magnetism Meet at the Edge
• From diffusive to ballistic transport in etched graphene constrictions and nanoribbons
• A parameter-free statistical model for two-dimensional carbon nanostructures
• Quantum Electronic Transport Across "Bite" Defects in Graphene Nanoribbons
• Topology as a Design Variable for Multiproperty Engineering in Synthesized 4-5-6-8 Carbon Nanoribbons