DOI

  • I. Yu Gotlib
  • A. K. Ivanov-Schitz
  • I. V. Murin
  • A. V. Petrov
  • R. M. Zakalyukin

Nanostructures formed upon filling single-walled carbon nanotubes of different diameters (ranging from 11. 5 to 17. 6 Å) with silver bromide have been investigated using the molecular dynamics method. The results of molecular dynamics computer simulation have demonstrated that, in such tubes, AgBr nanotubes in the form of rolled-up two-dimensional crystalline networks (including structures both with a trigonal coordination and with a tetragonal coordination of ions) can be produced as well as fragments of the NaCltype structure, which is typical of bulk AgBr crystals. In the initial stage of their filling, the carbon nanotubes in the silver bromide melt are deformed, on average, to a greater extent than those in a similar system with AgI. After taking out from the melt, the degree of deformation of the nanotubes decreases and, in the majority of cases, AgBr nanotubular structures based on a hexagonal network are formed inside them.

Язык оригиналаанглийский
Страницы (с-по)2375-2384
Число страниц10
ЖурналPhysics of the Solid State
Том53
Номер выпуска11
DOI
СостояниеОпубликовано - ноя 2011

    Предметные области Scopus

  • Электроника, оптика и магнитные материалы
  • Физика конденсатов

ID: 5248035