Magnetic communication through functionalized nanotubes: a theoretical study.
Functionalized nanotubes are good candidates to promote communication between paramagnetic centers at large distances through a highly delocalized pi system. Our study using theoretical methods based on density functional theory predicts the presence of surprisingly strong coupling at very large distances for this kind of system. To reach such strong couplings the system has to fulfill two conditions, the presence of highly charged metal cations and a metallic character of the nanotube.
Ruiz
Eliseo
E
Departament de Química Inorgànica and Centre de Recerca en Química Teórica, Universitat de Barcelona, Diagonal 647, 08028 Barcelona, Spain. eliseo.ruiz@qi.ub.es
Nunzi
Francesca
F
Alvarez
Santiago
S