Fullerenes as mass sensors: A numerical investigation

Abstract

This paper investigates the novel development of a mass sensitive nanosensor based on the use of individual spherical fullerenes. The main advantage of the mass sensing ability of spherical fullerenes in comparison with other nanomaterials such as carbon nanotubes (CNTs) or graphene nanoribbons (GNRs) is the fact that they present almost perfect geometric symmetry and thus a unique vibrational behavior which is independent from the location of the externally added nanoparticle. The study is conducted by the use of a computationally effective numerical scheme based on the adoption of appropriate three dimensional line spring elements as well as point mass elements to simulate the atomistic structure of fullerenes and interatomic interactions appearing between carbon atoms. The free vibration of C20, C60, C80 and C180 molecules is analyzed without and with an external nanoparticle of specific mass attached on their structure to calculate the arisen change in their natural frequencies and corresponding shape modes. A parametric study concerning the magnitude and location of the added mass is performed in order to evaluate the mass sensing ability of the fullerenes under consideration.