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
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