Abstract
Titanium dioxide
nanoparticle (TiO2-NP) is widely used
in manufactured nanomaterials such
as sunscreens, cosmetics, drugs, and some food products. It can be encapsulated in a single-walled
carbon nanotube (SWNT) depending on their physical and chemical interactions. On applying
the Lennard-Jones potential function and the continuous approximation, we determine three
encapsulation mechanisms for spherical shape TiO2-NP entering a tube: (i) head-on at the tube
open end, (ii) around the edge of the tube open end, and (iii) through a defect opening on the tube
wall. The total potential energy of the system is obtained as an exact expression by performing
double surface integrals. We find that the TiO2-NP is most (least) likely to be encapsulated into
a SWNT by head-on configuration (around the edge of the tube open end). This encapsulation
procedure is a potential application for targeted drug delivery. For convenience, throughout this
analysis all configurations are assumed to be in vacuum and the TiO2-NP is initially at rest.
Citation
ID:
188443
Ref Key:
sukchom2011journalthree