Insertion of Be Atoms inC60Fullerene Cages:Be@C60

Abstract

Radioactive endohedral ${}^7\mathrm{Be}@{\mathrm{C}}_{60}$ can be detected using radiochemical and radiochromatographic techniques in the final solvent. Such a ${}^7\mathrm{Be}$ atom can penetrate into the ${\mathrm{C}}_{60}$ cage to produce ${}^7\mathrm{Be}@{\mathrm{C}}_{60}$ by a recoil process of the nuclear reactions. An ab initio molecular dynamics simulation was carried out to demonstrate that a direct insertion process is really possible. Both the experimental and the theoretical results were consistent with each other.