论文部分内容阅读
Since U@C28 is one of the smallest endohedral metallofullerene(EMF)experimentally observed,theoretically exploring its electronic structure is of fundamental significance.Herein,our first principle calculations show that neutral U@C28 has a(cage)2 triplet ground state with Td symmetry instead of the previously reported(5f)1(cage)1 ground state with D2 symmetry.