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Title: Three possible encapsulation mechanics of TiO2 nanoparticles into single-walled carbon nanotubes
Authors: Duangkamon Baowan
Wisit Sukchom
Kittisak Chayantrakom
Pairote Satiracoo
Mahidol University
South Carolina Commission on Higher Education
Keywords: Materials Science
Issue Date: 16-Sep-2011
Citation: Journal of Nanomaterials. Vol.2011, (2011)
Abstract: Titanium dioxide nanoparticle (TiO 2 -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 TiO 2 -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 TiO 2 -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 TiO 2 -NP is initially at rest. © 2011 Wisit Sukchom et al.
ISSN: 16874129
Appears in Collections:Scopus 2011-2015

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