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Doping Induced Anisotropic Growth In C60, Miao Miao Wu, Qiang Sun, Puru Jena, Yoshiyuki Kawazoe

Physics Publications

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 …