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).
Журнал: JETP LETTERS
Выпуск журнала: Vol. 87, Is. 9
Номера страниц: 489-493
ISSN журнала: 00213640
Место издания: NEW YORK
Издатель: MAIK NAUKA/INTERPERIODICA/SPRINGER