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 C59 Si 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 C59 Si with N7 Sc and B8 Si. 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.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry