Electronic structure of electron-doped fullerenes

Тип публикации: статья из журнала

Год издания: 2000

Аннотация: Theoretical investigation of the electronic structure of C(60) fullerene complexes with two lithium atoms and of nitrogen-doped fullerenes was performed, with the purpose of their subsequent comparison and study of an isomeric effect for the compounds in question. Both types of compounds have a donor level within the band gap, arising from the extra electron pair present in molecules. However, lithium-containing complexes possess another distinction, namely, a significant splitting of the energy levels caused by positively charged lithium atoms. The band-gap width and the average bond energy for the complex of the fullerene with lithium depend on both the nature of the polygon that coordinates the lithium atoms and the distance between the intercalated atoms. The same dependence is observed for the nitrogen-doped compounds, although it is of irregular character.

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Издание

Журнал: Russian Journal of Inorganic Chemistry

Выпуск журнала: Vol. 45, Is. 11

Номера страниц: 1738-1743

ISSN журнала: 00360236

Авторы

  • Kuzubov A.A. (Krasnoyarsk Stt. Tech. University; Kirenskii Institute of Physics,Siberian Division,Russian Academy of Sciences)
  • Avramov P.V. (Krasnoyarsk State University; Krasnoyarsk Stt. Tech. University; Kirenskii Institute of Physics,Siberian Division,Russian Academy of Sciences)
  • Zakharov A.A. (Krasnoyarsk Stt. Tech. University)
  • Ovchinnikov S.G. (Kirenskii Institute of Physics,Siberian Division,Russian Academy of Sciences; Krasnoyarsk Stt. Tech. University)
  • Varganov S.A. (Kirenskii Institute of Physics,Siberian Division,Russian Academy of Sciences)
  • Tomilin F.N. (Krasnoyarsk State University; Kirenskii Institute of Physics,Siberian Division,Russian Academy of Sciences)

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