Effect of the disorder in graphene grain boundaries: A wave packet dynamics study
arXiv:1310.6867 · doi:10.1016/j.apsusc.2013.09.127
Abstract
Chemical vapor deposition (CVD) on Cu foil is one of the most promising methods to produce graphene samples despite of introducing numerous grain boundaries into the perfect graphene lattice. A rich variety of GB structures can be realized experimentally by controlling the parameters in the CVD method. Grain boundaries contain non-hexagonal carbon rings (4,5,7,8 membered rings) and vacancies in various ratios and arrangements. Using wave packet dynamic (WPD) simulations and tight-binding electronic structure calculations, we have studied the effect of the structure of GBs on the transport properties. Three model GBs with increasing disorder were created in the computer: a periodic 5-7 GB, a "serpentine" GB, and a disordered GB containing 4,8 membered rings and vacancies. It was found that for small energies (E=EF+-1eV) the transmission decreases with increasing disorder. Four membered rings and vacancies are identified as the principal scattering centres. Revealing the connection between the properties of GBs and the CVD growth method may open new opportunities in the graphene based nanoelectronics.
Applied Surface Science (2013)
References in corpus (7)
- Colloquium: The transport properties of graphene: An introduction
- Electronic transport in polycrystalline graphene
- On resonant scatterers as a factor limiting carrier mobility in graphene
- Mechanical properties of polycrystalline graphene based on a realistic atomistic model
- Influence of correlated impurities on conductivity of graphene sheets: Time-dependent real-space Kubo approach
- Revealing the grain structure of graphene grown by chemical vapor deposition
- Electronic transport through ordered and disordered graphene grain boundaries
Cited by in corpus (6)
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- Electronic transport across linear defects in graphene
- Large-scale tight-binding simulations of quantum transport in ballistic graphene
- Transport properties through graphene grain boundaries: strain effects versus lattice symmetry
- Web-Schrödinger: Program for the interactive solution of the time dependent and stationary two dimensional (2D) Schr{ö}dinger equation