New boron barrelenes and tubulenes


Тип публикации: статья из журнала

Год издания: 2008

Идентификатор DOI: 10.1134/S0021364008090087

Аннотация: The structure of a new class of boron nanostructures-barrelenes and tubulenes-based on a boron atomic lattice constructed by the alternating B-atomic polygons with central atoms and without them has been proposed and their properties have been described. Ab initio density functional calculations have been performed for the energy aПоказать полностьюnd electronic structure of the fullerene-barrelene-nanotube series based on the lowest energy fullerene B-80. It has been shown that the energy and band gap of a barrelene are lower than the respective quantities of the corresponding fullerene and tend to the respective values for nanotubes in the infinite limit. It has been shown that there are isomers of nanotubes of the same type that are significantly different in symmetry and electronic properties: a semiconductor (C-5v symmetry) and a metal (D-5h symmetry).

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Выпуск журнала: Vol. 87, Is. 9

Номера страниц: 489-493

ISSN журнала: 00213640

Место издания: NEW YORK



  • Chernozatonskii L.A. (Emanuel Institute of Biochemical Physics,Russian Academy of Sciences)
  • Sorokin P.B. (Kirensky Institute of Physics,Siberian Branch,Russian Academy of Sciences)
  • Yakobson B.I. (Department of Mechanical Engineering and Material Science,Rice University)

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