First-Principles Study of Hybrid Graphene and MoS${}_2$ Nanocomposites

Abstract

Combining the electronic properties of graphene and molybdenum disulphide (MoS${}_2$) monolayers in two-dimensional (2D) ultrathin hybrid nanocomposites have been synthesized experimentally to create excellent electronic, electrochemical, photovoltaic, photoresponsive and memory devices. Here, first-principles calculations are performed to investigate the electronic, electrical and optical properties in hybrid G/MoS${}_2$ and G/MoS${}_2$/G nanocomposites. It turns out that weak van der Waals interactions dominate between graphene and MoS${}_2$ with their intrinsic electronic properties preserved. Interestingly, tunable p-type doping of graphene is very easy to achieve by applying electric fields perpendicular to hybrid G/MoS${}_2$ and G/MoS${}_2$/G nanocomposites, because electrons can easily transfer from the Dirac point of graphene to the conduction band of MoS${}_2$ due to the work function of graphene close to the electronic affinity of MoS${}_2$. Vertical electric fields can generate strong p-type but weak n-type doping of graphene, inducing electron-hole pairs in hybrid G/MoS${}_2$/G sandwiched nanocomposites. Moreover, improved optical properties in hybrid G/MoS${}_2$ and G/MoS${}_2$/G nanocomposites are also expected with potential photovoltaic and photoresponsive applications.

12 pages,5 figures

References in corpus (16)

• Electric Field Effect in Atomically Thin Carbon Films
• The electronic properties of graphene
• Two Dimensional Atomic Crystals
• 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
• STM Spectroscopy of ultra-flat graphene on hexagonal boron nitride
• Electrical characterization of fully encapsulated ultra thin black phosphorus-based heterostructures with graphene contacts
• Defect in Phosphorene
• Stability and electronic properties of two-dimensional silicene and germanene on graphene
• Testing several recent van der Waals density functionals for layered structures
• Electronic Structures of Hybrid Graphene/Phosphorene Nanocomposite
• First-principles study of two-dimensional van der Waals heterojunctions
• Realization of free-standing silicene using bilayer graphene
• Electronic Structure of Large-Scale Graphene Nanoflakes
• Edge reconstruction in armchair phosphorene nanoribbons revealed by discontinuous Galerkin density functional theory

Cited by in corpus (5)

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• Strong magnetization and Chern insulators in compressed graphene/CrI${}_3$ van der Waals heterostructures
• First-principles investigation of graphene/MoS2 bilayer heterostructures using Tkatchenko-Scheffler van der Waals method
• Oxygen-induced in-situ manipulation of the interlayer coupling and exciton recombination in Bi2Se3/MoS2 2D heterostructures
• Graphene Contacts to a HfSe2/SnS2 Heterostructure