Magnesium Boride Nanotubes: Relative Stability and Atomic and Electronic Structure

Описание

Тип публикации: статья из журнала

Год издания: 2010

Идентификатор DOI: 10.1021/jp9112014

Ключевые слова: Basic composition, Bending behavior, Comparative studies, Diborides, Energy analysis, Energy minima, Magnesium atom, Magnesium boride, MgB2, Relative stabilities, Semiconducting behavior, Small-diameter, Staggered configuration, Sub-lattices, Bending (forming), Borides, Boron, Electronic properties, Electronic structure, Energy management, Magnesium, Nanotubes, Density functional theory

Аннотация: A comparative study of file energies and the electronic structure of MgBx nanotubes is performed within the framework of the density functional theory. Different basic compositions (x = 2 for diboride and x = 3 for triboride) and different diameters (3 angstrom

Ссылки на полный текст

Издание

Журнал: JOURNAL OF PHYSICAL CHEMISTRY C

Выпуск журнала: Vol. 114, Is. 11

Номера страниц: 4852-4856

ISSN журнала: 19327447

Место издания: WASHINGTON

Издатель: AMER CHEMICAL SOC

Персоны

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