Abstract
Presented herein is a comprehensive study on the mechanics of concentric and eccentric C60 fullerenes inside open carbon nanocones (CNCs) on the basis of the continuum approximation along with the 6–12 Lennard-Jones (LJ) potential function. For concentric configuration, new analytical expressions are derived to evaluate van der Waals (vdW) potential energy and interaction force between the two interacting molecules. Also, semi-analytical expressions in terms of double integrals are extracted to determine the potential energy of an offset C60 fullerene inside open CNCs. The proposed expressions are demonstrated to be dependent on whether the fullerene enters the open nanocone through the small end or the wide end. The effects of geometrical parameters such as small end radius, wide end radius and vertex angle of open nanocone on the distributions of vdW potential energy and interaction force are fully investigated. It is found that the fullerene molecule undergoes an asymmetrical motion inside CNCs. Moreover, for concentric and eccentric configurations, preferred position of system, for which potential energy reaches its minimum value, is obtained for different sizes of nanocone.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Physica E: Low-dimensional Systems and Nanostructures
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
