Вид документа : Статья из журнала Шифр издания : 54/E 58 Автор(ы) : Enyashin A. N., Ivanovskii A. L. Заглавие : Atomic and Electronic Structures and Stability of Icosahedral Nanodiamonds and Onions Место публикации : Physics of the Solid State. - 2007. - Vol. 49, № 2. - С. 392-397: il. Примечания : Bibliogr. : p. 397 (25 ref.) ISSN: 1063-7834 ББК : 54 Предметные рубрики: ХИМИЧЕСКИЕ НАУКИ Ключевые слова (''Своб.индексиров.''): карбоновые наночастицы--фуллерены Аннотация: The relative stability of alternative carbon nanoparticles with icosahedral symmetry, such as diamond-like nanocrystallites and multiwalled fullerenes (onions), is investigated using the parametric model and the density functional tight-binding (DFTB) method. It is demonstrated that an increase in the size of particles and their hydrogenation favor the stabilization of diamond-like nanocrystallites. The formation of “intermediate” nanostructures consisting of diamond-like nanocrystallites inside the fullerene cage is revealed. The electronic spectra of icosahedral carbon nanoparticles are calculated Доп.точки доступа: Ivanovskii, A. L.; Ивановский Александр Леонидович