Doping induced anisotropic growth in C₆₀

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.