Monte Carlo Study of the Properties of a Carbon Nanotube Functionalized by Magnetic Nanoparticles

We present a computer simulation study of the behavior of a carbon nanotube in which both ends are connected to magnetic nanoparticles by a short alkane chain. Such a composite object reveals very interesting features depending on the type of magnetic nanoparticle (ferromagnetic or superparamagnetic). In the case of ferromagnetic nanoparticles, we observed that depending on the strength of the external magnetic field the nanotube mouths can be plugged or opened. It implies that the access to the nanotube interior can be easily controlled by switching on or off the external magnetic field. Such nanodevices might be very promising candidates for drug-delivery systems or storage materials with controllable release of encapsulated molecules. This paper discusses the conditions under which the desirable properties can be attained.