TY - JOUR
T1 - Formation of Sb- and Te-doped fullerenes by using nuclear recoil and molecular-dynamics simulations
AU - Ohtsuki, T.
AU - Ohno, K.
AU - Shiga, K.
AU - Kawazoe, Y.
AU - Maruyama, Y.
AU - Shikano, K.
AU - Masumoto, K.
PY - 2001/1/1
Y1 - 2001/1/1
N2 - The formation of heavier atoms (Sb,Te)-incorporated fullerenes has been investigated by using radionuclides produced by nuclear reactions. From the trace of radioactivities of (formula presented) (formula presented) or (formula presented) after high-performance liquid chromatography, 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 were carried out. We present the possibility of the formation of endohedral fullerenes or substitutional heterofullerenes incorporated with Sb or Te atoms.
AB - The formation of heavier atoms (Sb,Te)-incorporated fullerenes has been investigated by using radionuclides produced by nuclear reactions. From the trace of radioactivities of (formula presented) (formula presented) or (formula presented) after high-performance liquid chromatography, 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 were carried out. We present the possibility of the formation of endohedral fullerenes or substitutional heterofullerenes incorporated with Sb or Te atoms.
UR - http://www.scopus.com/inward/record.url?scp=0035883440&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0035883440&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.64.125402
DO - 10.1103/PhysRevB.64.125402
M3 - Article
AN - SCOPUS:0035883440
VL - 64
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
SN - 0163-1829
IS - 12
ER -