Вид документа : Статья из журнала Шифр издания : 54/Q 23 Автор(ы) : Ivanovskaya V. V., Enyashin A. N., Sofronov A. A., Makurin Yu. N., Medvedeva N. I., Ivanovskii A. L. Заглавие : Quantum-chemical modelling of the electronic structure and the chemical bond in multiwalled nanotubes based on metal diborides Место публикации : Theoretical and Experimental Chemistry. - 2003. - Vol. 39, № 1. - С. 1-8: il. Примечания : Bibliogr. : p. 7-8 (18 ref.) ISSN: 0040-5760 ББК : 54 Предметные рубрики: ХИМИЧЕСКИЕ НАУКИ Ключевые слова (''Своб.индексиров.''): квантово-химическое моделирование--нанотрубки--дибориды металлов Аннотация: A quantum-chemical model of multiwalled nanotubes of magnesium diboride was produced. The electronic structure and the nature of the interatomic bonds in the multiwalled nanotubes were studied in relation to the diameter and the number of Mg-B2 layers: (6,6)- (3,3) ® (6,6)@(12,12) -(3,3)@(6,6)@(12,12). Possible methods for the production of diboride nanotubes are discussed. Features of the electronic states in composite nanotubular structures based on the diborides of s and p metals are examined for the first time as illustrated by the(6,6)AlB2(12,12)MgB2 multiwalled nanotube Доп.точки доступа: Ivanovskaya, V. V.; Enyashin, A. N.; Sofronov, A. A.; Makurin, Yu. N.; Medvedeva, N. I.; Медведева Надежда Ивановна; Ivanovskii, A. L.; Ивановский Александр Леонидович