Abstract
The formation of Sb or Te atom-incorporated fullerenes has been investigated by using radionuclides produced by nuclear reactions. From the trace of radioactivities of 120Sb(122Sb) or 121Te after High Pressure Liquid Chromatography (HPLC), it was found that the formation of endohedral fullerenes or heterofullerenes in atoms of Sb or Te is possible by a recoil process following the nuclear reactions. To confirm the produced materials, ab initio molecular-dynamics simulations based on an all-electron mixed-basis approach was carried out. We present possibility of the formation of endohedral fullerenes or substitutional heterofullerenes incorporated with Sb or Te atoms.The formation of Sb or Te atom-incorporated fullerenes has been investigated by using radionuclides produced by nuclear reactions. From the trace of radioactivities of 120Sb(122Sb) or 121Te after High Pressure Liquid Chromatography (HPLC), it was found that the formation of endohedral fullerenes or heterofullerenes in atoms of Sb or Te is possible by a recoil process following the nuclear reactions. To confirm the produced materials, ab initio molecular-dynamics simulations based on an all-electron mixed-basis approach was carried out. We present possibility of the formation of endohedral fullerenes or substitutional heterofullerenes incorporated with Sb or Te atoms.
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