Spontaneous edge-defect formation and defect-induced conductance suppression in graphene nanoribbons
arXiv:1009.0022 · doi:10.1103/PhysRevB.82.115410
Abstract
We present a first-principles study of the migration and recombination of edge defects (carbon adatom and/or vacancy) and their influence on electrical conductance in zigzag graphene nanoribbons (ZGNRs). It is found that at room temperature, the adatom is quite mobile while the vacancy is almost immobile along the edge of ZGNRs. The recombination of an adatom-vacancy pair leads to a pentagon-heptagon ring defect structure having a lower energy than the perfect edge, implying that such an edge-defect can be formed spontaneously. This edge defect can suppresses the conductance of ZGNRs drastically, which provides some useful hints for understanding the observed semiconducting behavior of the fabricated narrow GNRs.
6 pages, 4 figures, to appear in PRB
References in corpus (24)
- The electronic properties of graphene
- Density functional method for nonequilibrium electron transport
- Energy Band Gap Engineering of Graphene Nanoribbons
- Energy Gaps in Graphene Nanoribbons
- Half-Metallic Graphene Nanoribbons
- Valley filter and valley valve in graphene
- 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
- Self-passivating edge reconstructions of graphene
- Structure, Stability, Edge States and Aromaticity of Graphene Ribbons
- Crystallographic Etching of Few-Layer Graphene
- Role of Symmetry in the Transport Properties of Graphene Nanoribbons under Bias
- Conductance quantization and transport gap in disordered graphene nanoribbons
- Edge disorder induced Anderson localization and conduction gap in graphene nanoribbons
- Quantum conductance of graphene nanoribbons with edge defects
- Evidence for Graphene Edges Beyond Zigzag and Armchair
- Time-Dependent Partition-Free Approach in Resonant Tunneling Systems
- Quantum Manifestations of Graphene Edge Stress and Edge Instability: A First-Principles Study
- Transport Length Scales in Disordered Graphene-based Materials: Strong Localization Regimes and Dimensionality Effects
- AFM local oxidation nanolithography of graphene
- Suppression of spin-polarization in graphene nanoribbon by edge defect and impurity
- Effect of edge roughness in graphene nanoribbon transistors
- Effect of Edge Roughness on Electronic Transport in Graphene Nanoribbon Channel Metal Oxide Semiconductor Field-Effect Transistors
Cited by in corpus (8)
- Thermal and Thermoelectric Properties of Graphene
- Dirac boundary condition at the reconstructed zigzag edge of graphene
- Long triple carbon chains formation by heat treatment of graphene nanoribbon: Molecular dynamics study with revised Brenner potential
- On the identification of pristine and defected graphene nanoribbons by phonon signatures in the electron transport characteristics
- Optimal model of semi-infinite graphene for ab initio calculations of reactions at graphene edges by the example of zigzag edge reconstruction
- Reconstruction of Zigzag Graphene Edges: Energetics, Kinetics and Residual Defects
- Magnetic and electronic properties of 1D hybrid nanoobjects composed of alternating polycyclic hydrocarbon regions and double carbon chains
- Thermodynamics of a Potts-like model for a reconstructed zigzag edge in graphene nanoribbons