Вид документа : Статья из журнала Шифр издания : 54/M 78 Автор(ы) : Enyashin A. N., Ivanovskaya V. V., Makurin Yu. N., Ivanovskii A. L. Заглавие : Modeling of the Structure and Electronic Structure of Condensed Phases of Small Fullerenes C28 and Zn@C28 Место публикации : Physics of the Solid State. - 2004. - Vol. 46, № 8. - С. 1569-1573: il. Примечания : Bibliogr. : p. 1572-1573 (23 ref.) ISSN: 1063-7834 ББК : 54 Предметные рубрики: ХИМИЧЕСКИЕ НАУКИ Ключевые слова (''Своб.индексиров.''): конденсированные фазы--фуллерены Аннотация: A comparative analysis of the stability factors and electronic structure of two possible crystalline forms of small fullerene C28 and endohedral fullerene Zn@C28 with diamond and lonsdaleite structures is performed using a cluster model. Atoms of elements that, when placed inside C28 cages, have no significant effect on the stability of free small-fullerene molecules are shown to be able to dramatically change the electronic properties and reactivity of the C28 skeleton and to be favorable for forming small-fullerene crystalline modifications, which are covalent crystals. In contrast, if the presence of foreign atoms inside C28 cages stabilizes the isolated nanoparticles, then molecular crystals (such as C60 fullerites) are formed due to weak van der Waals forces Доп.точки доступа: Enyashin, A. N.; Ivanovskaya, V. V.; Makurin, Yu. N.; Ivanovskii, A. L.; Ивановский Александр Леонидович