TY - JOUR
T1 - Formation of As- and Ge-doped heterofullerenes
AU - Ohtsuki, Tsutomu
AU - Ohno, Kaoru
AU - Shiga, Keiichiro
AU - Kawazoe, Yoshiyuki
AU - Maruyama, Yutaka
AU - Masumoto, Kazuyoshi
PY - 1999
Y1 - 1999
N2 - Radioactive heterofullerenes As*C59, As*C69(As*=71As, 72As, 74As), 69GeC59, and their polymers are detected by using radiochemical and radiochromatographic techniques. This result suggests that a carbon atom in fullerene molecule can easily be substituted with As or Ge by a recoil process following nuclear reactions. Using ab initio molecular-dynamics simulations based on the all-electron mixed-basis approach, we confirmed that the formation of a substitutionally doped heterofullerene with a single As atom is really possible.
AB - Radioactive heterofullerenes As*C59, As*C69(As*=71As, 72As, 74As), 69GeC59, and their polymers are detected by using radiochemical and radiochromatographic techniques. This result suggests that a carbon atom in fullerene molecule can easily be substituted with As or Ge by a recoil process following nuclear reactions. Using ab initio molecular-dynamics simulations based on the all-electron mixed-basis approach, we confirmed that the formation of a substitutionally doped heterofullerene with a single As atom is really possible.
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U2 - 10.1103/PhysRevB.60.1531
DO - 10.1103/PhysRevB.60.1531
M3 - Article
AN - SCOPUS:4243996608
SN - 1098-0121
VL - 60
SP - 1531
EP - 1534
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 3
ER -