Common surface structures of graphene and Au(111) : The effect of rotational angle on adsorption and electronic properties

Abstract

Graphene adsorption on Au(111) surface was explored to identify their common surface structures by means of van der Waals corrected density functional theory calculations. The alignment of graphene in the form of certain rotational angles on the gold surface has an important role on the lattice matching which causes Moiré patterns, and on the electronic properties of the resulting common cell structures. The dispersive weak interactions between carbon and gold layers lead to a downward shift of Fermi energy of the adsorption system with respect to the Dirac point of graphene showing a $p$-type doping character. Moreover, the shift was shown to depend on the rotational angle of graphene on Au(111).

arXiv comment9 pages, 4 Figures

References in corpus (31)

• Electric Field Effect in Atomically Thin Carbon Films
• The electronic properties of graphene
• Two-Dimensional Gas of Massless Dirac Fermions in Graphene
• Large-Area Synthesis of High-Quality and Uniform Graphene Films on Copper Foils
• Universal Dynamic Conductivity and Quantized Visible Opacity of Suspended Graphene
• Quantum Spin Hall Effect in Graphene
• Ultrahigh electron mobility in suspended graphene
• Energy Band Gap Engineering of Graphene Nanoribbons
• Doping graphene with metal contacts
• Substrate-induced band gap opening in epitaxial graphene
• Gate-induced insulating state in bilayer graphene devices
• Nonlocal van der Waals density functional: The simpler the better
• First-principles study of the interaction and charge transfer between graphene and metals
• Dirac Cones and Minigaps for Graphene on Ir(111)
• SCAN+rVV10: A promising van der Waals density functional
• Graphene on metals: a Van der Waals density functional study
• Graphite and graphene as perfect spin filters
• Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality
• Point defects on graphene on metals
• The random phase approximation applied to solids, molecules, and graphene-metal interfaces: From weak to strong binding regimes
• Tailoring Graphene with Metals on Top
• Graphene/Au(111) interaction studied by scanning tunneling microscopy
• Interfacial Properties of Bilayer and Trilayer Graphene on Metal Substrates
• Doping of graphene by a Au(111) substrate: Calculation strategy within the local density approximation and a semiempirical van der Waals approach
• Extraordinary epitaxial alignment of graphene islands on Au(111)
• Electronic and magnetic properties of zigzag graphene nanoribbons on the (111) surface of Cu, Ag and Au
• Understanding the origin of band gap formation in graphene on metals: graphene on Cu/Ir(111)
• Graphene on Ir(111) surface: From van der Waals to strong bonding
• Rotation misorientated graphene moire superlattices on Cu(111): classical molecular dynamics simulations and scanning tunneling microscopy studies
• Transfer Characteristics in Graphene Field-Effect Transistors with Co Contacts
• Domains of doping in graphene on polycrystalline gold: first-principles and scanning tunneling spectroscopy studies