Electronic Structures of Hybrid Graphene/Phosphorene Nanocomposite

Abstract

Combining the electronic structures of two-dimensional monolayers in ultrathin hybrid nanocomposites is expected to display new properties beyond their simplex components. Here, first-principles calculations are performed to study the structural, electronic and optical properties of hybrid graphene and phosphorene nanocomposite. It turns out that weak van der Waals interactions dominate between graphene and phosphorene with their intrinsic electronic properties preserved. Hybrid graphene and phosphorene nanocomposite shows tunable band gaps at graphene's Dirac point and a transition from hole doing to electron doing for graphene as the interfacial distance decreases. Charge transfer between graphene to phosphorene induces interfacial electron-hole pairs in hybrid graphene and phosphorene nanocomposite with enhanced visible light response.

arXiv comment12 pages, 5 figures

References in corpus (27)

• Electric Field Effect in Atomically Thin Carbon Films
• The electronic properties of graphene
• Atomically thin MoS2: A new direct-gap semiconductor
• Two Dimensional Atomic Crystals
• Van der Waals heterostructures
• Black phosphorus field-effect transistors
• Phosphorene: A New 2D Material with High Carrier Mobility
• High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus
• Single-Layer MoS2 Phototransistors
• Two and one-dimensional honeycomb structures of silicon and germanium
• Doping graphene with metal contacts
• Substrate-induced band gap opening in epitaxial graphene
• Observation of Electron-Hole Puddles in Graphene Using a Scanning Single Electron Transistor
• Atomic Structure of Graphene on SiO2
• STM Spectroscopy of ultra-flat graphene on hexagonal boron nitride
• First-principles study of the interaction and charge transfer between graphene and metals
• The interlayer cohesive energy of graphite from thermal desorption of polyaromatic hydrocarbons
• Phosphorene nanoribbons, nanotubes and van der Waals multilayers
• Ab initio Study of Graphene on SiC
• Electrical characterization of fully encapsulated ultra thin black phosphorus-based heterostructures with graphene contacts
• The Origin of Doping in Quasi-Free Standing Graphene on Silicon Carbide
• Energy gap tuning in graphene on hexagonal boron nitride bilayer system
• Quasiparticle bandgap engineering of graphene and graphone on hexagonal boron nitride substrate
• Stability and electronic properties of two-dimensional silicene and germanene on graphene
• Graphite based Schottky diodes formed on Si, GaAs and 4H-SiC substrates
• Doping of graphene by a Au(111) substrate: Calculation strategy within the local density approximation and a semiempirical van der Waals approach
• Realization of free-standing silicene using bilayer graphene

Cited by in corpus (6)

• Defect in Phosphorene
• First-Principles Study of Hybrid Graphene and MoS${}_2$ Nanocomposites
• First-principles study of two-dimensional van der Waals heterojunctions
• DGDFT: A Massively Parallel Method for Large Scale Density Functional Theory Calculations
• Design of efficient vdW thermionic heterostructures from first principles
• Large phosphorene in-plane contraction induced by interlayer interactions in graphene-phosphorene heterostructures