| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1544698 | Physica E: Low-dimensional Systems and Nanostructures | 2013 | 7 Pages |
Abstract
Electronic structure properties including bond lengths, bond angles, dipole moments (μ), energies, band gaps, NMR parameters of the isotropic and anisotropic chemical shielding parameters for the sites of various atoms were calculated using the density functional theory for Si, Ge, Sn, Pb doped (6,3) Chiral single-walled carbon nanotubes (SWCNTs). The calculations indicated that average bond lengths were as: Pb3C>Sn3C>Ge3C>Si3C>C3C. The dipole moments for Si, Ge, Sn, Pb doped (6,3) Chiral single-walled carbon nanotubes structures show fairly large changes with respect to the pristine model.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Electronic, Optical and Magnetic Materials
Authors
Mohammad Reza Zardoost, Behnam Dehbandi,