Document Type
Article
Original Publication Date
2009
Journal/Book/Conference Title
The Journal of Chemical Physics
Volume
130
Issue
18
DOI of Original Publication
10.1063/1.3134115
Date of Submission
October 2015
Abstract
Using density functional theory with generalized gradient approximation for exchange and correlation energy, we show that substitution of a Si atom at one of the C sites in C60 not only allows C59Si to have a hydrophobic head with a hydrophilic tail but also the Si atom acts as a seed for anisotropic growth of the heterofullerene. This is demonstrated by interacting C59Si with N7Sc and B8Si. The resulting complex structures exhibit enhanced electric dipole moments and anisotropy. Thus, doping induced anisotropic growth of nanostructures provides a novel route for the synthesis of bifunctional particles with atomic-level control on selectivity and diversity. These particles may have important applications in biomedical, solar, and display industry.
Rights
Wu, M. M., Sun, Q., Wang, Q., et al. Doping induced anisotropic growth in C60. The Journal of Chemical Physics 130, 184714 (2009). Copyright © 2009 AIP Publishing LLC.
Is Part Of
VCU Physics Publications
Comments
Originally published at http://dx.doi.org/10.1063/1.3134115