Volume 100, Number 5, December 2012
|Number of page(s)||6|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||06 December 2012|
Effect of edge passivation on electronic and transport properties of carbon nanotube-based molecular devices
1 School of Physics and Material Science, Anhui University - Hefei 230039, China
2 Department of Chemical Physics, University of Science and Technology of China - Hefei 230039, China
3 National Lab. of Infrared Physics, Shanghai Institute for Technical Physics, Chinese Academy of Sciences Shanghai 200083, China
(a) Present address: School of Physics and Material Science, Anhui University - Feixi Road 3, Hefei, 230039, China; firstname.lastname@example.org
Received: 15 August 2012
Accepted: 14 November 2012
The electronic and transport properties of the molecular devices of finite-sized carbon nanotubes (CNTs) have been studied by combining the density-functional theory and Green's function method. Different edge-passivated types are considered for the edge carbon atoms at the two open ends. It is shown that the electronic and transport properties of the finite-size CNTs are sensitive to the passivation types of edge atoms. An asymmetry passivation method which can tune the spin density of states of CNTs has been proposed. The electron transmission can be manipulated by modifying the CNTs, such as edge passivation types and concentrations.
PACS: 73.63.Fg – Nanotubes / 72.10.Fk – Scattering by point defects, dislocations, surfaces, and other imperfections (including Kondo effect)
© EPLA, 2012
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