Federizzi Rodrigo Link, Moura Cassio Stein, Amaral Livio
Material Science Program, Institute of Physics, Universidade Federal do Rio Grande do Sul, C.P.: 15051, 91501-070 Porto Alegre, RS, Brazil.
J Phys Chem B. 2006 Nov 23;110(46):23215-20. doi: 10.1021/jp064907g.
We have investigated the formation of cross-links between neighboring carbon nanotubes within a bundle. Classical molecular dynamics was used to follow the evolution of the system when it is bombarded by low-energy carbon atoms. We show that it is possible to polymerize carbon nanotubes through irradiation and discuss the most common types of defects produced. Cross-links are created mainly in the direction perpendicular to the surface, and for higher energies, defects are created deeper in the rope. The final defects geometries may provide a realistic input to electronic density first principle calculations.
