The formation of Se-atom-incorporated fullerenes has been investigated by using radionuclides produced by nuclear reactions. From the trace of radioactivities of 75Se after high-performance liquid chromatography, it was found that the formation of endohedral fullerenes or heterofullerenes 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 were carried out. We found that the insertion of a Se atom into C60 cage is much easier than that of As and Ge atoms. The result indicates that an electron affinity of doping atoms seems to be important in the formation of foreign-atom-doped fullerenes.
|Number of pages||4|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 2002 Feb 15|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics