Radiochemical challenges in the study of endohedral fullerenes and MD simulation

被引:3
|
作者
Ohtsuki, T
Ohno, K
机构
[1] Tohoku Univ, Nucl Sci Lab, Taiha Ku, Sendai, Miyagi 9820826, Japan
[2] Yokohama Natl Univ, Dept Phys, Yokohama, Kanagawa 2408501, Japan
关键词
D O I
10.1023/B:JRNC.0000040869.37749.4b
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
The formation of atom-doped fullerenes has been investigated by using several types of radionuclides produced by nuclear reactions. From the trace of the radioactivities after high performance liquid chromatography (HPLC), it was found that formation of endohedral fullerenes (or heterofullerene) with small atoms (Be, Li), noble-gas atoms (Kr, Xe) and 4B-6B elements (Ge, As, Se, Sb, Te etc.) is possible by a recoil process following the nuclear reaction. In order to show the possibility of creating endohedral fullerenes by inserting a foreign atom with a suitably high kinetic energy into C-60, we have carried out large-scale ab initio molecular dynamics simulations on the basis of the all-electron mixed-basis approach with atomic orbitals and plane waves for Li, Be, N, O, Na, S, Cl, K, V, Cu, As, Se, Sb, Te, Kr, Xe.
引用
收藏
页码:165 / 173
页数:9
相关论文
共 50 条
  • [1] Radiochemical challenges in the study of endohedral fullerenes and MD simulation
    T. Ohtsuki
    K. Ohno
    [J]. Journal of Radioanalytical and Nuclear Chemistry, 2004, 262 : 165 - 173
  • [2] Radiochemical approaches for formation of endohedral fullerenes and MD simulation
    Ohtsuki, T
    Ohno, K
    [J]. SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, 2004, 5 (5-6) : 621 - 624
  • [3] XAFS study on metal endohedral fullerenes
    Kubozono, Y
    Inoue, T
    Takabayashi, Y
    Fujiki, S
    Kashino, S
    Akasaka, T
    Wakahara, T
    Inakuma, M
    Kato, H
    Sugai, T
    Shinohara, H
    Emura, S
    [J]. JOURNAL OF SYNCHROTRON RADIATION, 2001, 8 : 551 - 553
  • [4] Endohedral fullerenes
    Campbell, EEB
    [J]. APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 1998, 66 (03): : 241 - 241
  • [5] Endohedral Fullerenes
    Popov, Alexey A.
    Yang, Shangfeng
    Dunsch, Lothar
    [J]. CHEMICAL REVIEWS, 2013, 113 (08) : 5989 - 6113
  • [6] Endohedral fullerenes
    Anon
    [J]. Chemical and Engineering News, 2002, 80 (24):
  • [7] The study on the formation of fullerenes and endohedral fullerenes with a laser furnace apparatus
    Suzuki, S
    Kasuya, D
    Suganuma, T
    Shiromaru, H
    Achiba, Y
    Kataura, H
    [J]. PROCEEDINGS OF THE SYMPOSIUM ON RECENT ADVANCES IN THE CHEMISTRY AND PHYSICS OF FULLERENES AND RELATED MATERIALS, VOL 4, 1997, 97 (14): : 485 - 489
  • [8] Electronic structure of endohedral fullerenes An@C28 (An=Th-Md)
    Ryzhkov, Mikhail V.
    Ivanovskii, Alexander L.
    Delley, Bernard
    [J]. COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2012, 985 : 46 - 52
  • [9] A novel approach to the synthesis of endohedral fullerenes as demonstrated by endohedral barium fullerenes
    Moschel, C
    Jansen, M
    [J]. CHEMISCHE BERICHTE-RECUEIL, 1997, 130 (12): : 1761 - 1764
  • [10] Quantum-chemical study of endohedral fullerenes
    Starikov, A. G.
    Gapurenko, O. A.
    Buchachenko, A. L.
    Levin, A. A.
    Breslavskaya, N. N.
    [J]. RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2008, 78 (04) : 793 - 810