First Principles Study of Work Functions of Single Wall Carbon Nanotubes

Abstract

We performed first principles calculations on work functions of single wall carbon nanotubes (SWNTs), which can be divided into two classes according to tube diameter (D). For class I tubes (D > 1 nm), work functions lie within a narrow distribution (~0.1 eV) and show no significant chirality or diameter dependence. For class II tubes (D < 1 nm), work functions show substantial changes, with armchair tubes decrease monotonously with diameter, while zigzag tubes show opposite trend. Surface dipoles and hybridization effects are shown to be responsible for the observed work function change.

10 pages, 4 figures, Phys. Rev. Lett.(to be published)

References in corpus (3)

• Carbon Nanotubes as Schottky Barrier Transistors
• Role of Fermi-level pinning in nanotube Schottky diodes
• Work functions of pristine and alkali-metal intercalated carbon nanotubes and bundles

Cited by in corpus (19)

• Tuning the graphene work function by electric field effect
• High Responsivity, Large-Area Graphene/MoS2 Flexible Photodetectors
• Electrochemical Synthesis of CdSe Quantum Dot Array on Graphene Basal Plane using Mesoporous Silica Thin Film Templates
• Size-selective nanoparticle growth on few-layer graphene films
• Bistability and oscillatory motion of natural nano-membranes appearing within monolayer graphene on silicon dioxide
• Ab initio calculations of electron affinity and ionization potential of carbon nanotubes
• First Principles Study of Work Functions of Double Wall Carbon Nanotubes
• Modeling extended contacts to nanotube and graphene devices
• Stability and electronic properties of small BN nanotubes
• Engineering the work function of armchair graphene nanoribbons using strain and surface functional species: a first principles study
• Direct growth of mm-size twisted bilayer graphene by plasma-enhanced chemical vapor deposition
• Potential barrier of Graphene edges
• Curvature-Controlled Band Alignment Transitions in 1D van der Waals Heterostructures
• Electron-vibron coupling in suspended nanotubes
• The exchange-correlation potential correction to the vacuum potential barrier of graphene edge
• Hydrostatic strain enhancement in laterally confined SiGe nanostripes
• Tunable Electronic, Optical and Transport Properties of Two Dimensional GaS Doped with Group II and Group IVa Elements
• Force and magnetic field sensor based on measurement of tunneling conductance between ends of coaxial carbon nanotubes
• Electronic and Magnetic Properties of Small Fullerene Carbon Nanobuds: A DFT Study