• 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.

Original languageEnglish
Pages (from-to)2375-2384
Number of pages10
JournalPhysics of the Solid State
Volume53
Issue number11
DOIs
StatePublished - Nov 2011

    Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

ID: 5248035